 Entering Gaussian System, Link 0=g16
 Input=25_methylisochromane_Chair_STD_LCPBE_augccpVDZ.in
 Output=25_methylisochromane_Chair_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/25_methylisochromane_Chair_STD/Gau-10980.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/Tuned_LCPBE/25_methylisochromane_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10983.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=25_methylisochromane_Chair_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tigh
 t) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=025000
 0000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131
 =-1)
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=250000000,108=250000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 19:14:03 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "25_methylisochromane_Chair_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.475896000000      1.063550000000     -0.098164000000
  C                                                 2.818875000000     -0.266215000000      0.119370000000
  C                                                 1.142334000000      1.417940000000     -0.238522000000
  C                                                 0.125866000000      0.463720000000     -0.164411000000
  C                                                 0.479308000000     -0.873519000000      0.040878000000
  C                                                 1.819829000000     -1.224692000000      0.185806000000
  C                                                -1.334336000000      0.847139000000     -0.328494000000
  C                                                -2.230548000000     -0.293378000000      0.146590000000
  O                                                -1.828910000000     -1.535993000000     -0.399339000000
  C                                                -0.581007000000     -1.944665000000      0.122977000000
  H                                                 3.245503000000      1.822195000000     -0.159561000000
  H                                                 3.856711000000     -0.553358000000      0.228132000000
  H                                                 0.889253000000      2.456036000000     -0.408732000000
  H                                                 2.081007000000     -2.265247000000      0.343936000000
  H                                                -1.525132000000      0.979693000000     -1.399895000000
  C                                                -1.715470000000      2.141812000000      0.391759000000
  H                                                -3.260415000000     -0.130838000000     -0.172010000000
  H                                                -2.217846000000     -0.344198000000      1.246196000000
  H                                                -0.278754000000     -2.821206000000     -0.451456000000
  H                                                -0.704522000000     -2.261367000000      1.170694000000
  H                                                -1.478710000000      2.079067000000      1.455920000000
  H                                                -2.786635000000      2.330893000000      0.291531000000
  H                                                -1.193667000000      3.006125000000     -0.016779000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     23 NQM=       23 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 19:14:04 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.390407   0.000000
     3  C    1.386968   2.403176   0.000000
     4  C    2.426278   2.804574   1.396150   0.000000
     5  C    2.785307   2.418378   2.401760   1.398311   0.000000
     6  C    2.397314   1.386068   2.760898   2.417209   1.393314
     7  C    3.823317   4.323112   2.543188   1.518593   2.527134
     8  C    4.904261   5.049569   3.801743   2.494515   2.773276
     9  O    5.037825   4.845957   4.192836   2.806277   2.441420
    10  C    4.294522   3.791623   3.795747   2.526377   1.509424
    11  H    1.082408   2.149714   2.143123   3.402589   3.867672
    12  H    2.151165   1.082305   3.386979   3.886868   3.397708
    13  H    2.133754   3.378311   1.081973   2.147504   3.384692
    14  H    3.381165   2.142664   3.845287   3.395328   2.143406
    15  H    4.208297   4.767688   2.942146   2.125663   3.086746
    16  C    4.355482   5.141311   3.014679   2.552614   3.745983
    17  H    5.859802   6.087774   4.667691   3.438089   3.818694
    18  H    5.081365   5.161819   4.074350   2.852285   3.001268
    19  H    4.775379   4.055752   4.476069   3.322176   2.147216
    20  H    4.772854   4.183329   4.351329   3.146132   2.145707
    21  H    4.368679   5.075032   3.190313   2.794545   3.814963
    22  H    5.426993   6.180320   4.068321   3.489539   4.582299
    23  H    4.152820   5.179502   2.833444   2.868237   4.225377
                    6          7          8          9         10
     6  C    0.000000
     7  C    3.808641   0.000000
     8  C    4.156253   1.526329   0.000000
     9  O    3.708450   2.434942   1.415431   0.000000
    10  C    2.507254   2.926688   2.334158   1.413184   0.000000
    11  H    3.381619   4.685531   5.878479   6.089712   5.376917
    12  H    2.145080   5.405386   6.093354   5.803928   4.651896
    13  H    3.842812   2.745785   4.195333   4.829575   4.670176
    14  H    1.084423   4.669441   4.745179   4.046198   2.690337
    15  H    4.308425   1.096300   2.123661   2.724348   3.429633
    16  C    4.886113   1.529773   2.501112   3.763636   4.249535
    17  H    5.208976   2.165804   1.090207   2.018749   3.249033
    18  H    4.266441   2.163220   1.100853   2.068679   2.549972
    19  H    2.712750   3.819179   3.249165   2.014317   1.090713
    20  H    2.901215   3.508139   2.692680   2.062867   1.101484
    21  H    4.838220   2.173160   2.812135   4.078392   4.332785
    22  H    5.820041   2.166825   2.686455   4.043185   4.813897
    23  H    5.198270   2.185904   3.462446   4.602252   4.990512
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483371   0.000000
    13  H    2.452704   4.274091   0.000000
    14  H    4.279806   2.469230   4.927200   0.000000
    15  H    5.000720   5.827946   2.998541   5.155077   0.000000
    16  C    5.001736   6.191923   2.743010   5.817018   2.144009
    17  H    6.792751   7.140877   4.895682   5.775179   2.398372
    18  H    6.042979   6.162828   4.498240   4.794230   3.038805
    19  H    5.836674   4.765191   5.405122   2.551511   4.110940
    20  H    5.835045   4.960904   5.223849   2.905635   4.217321
    21  H    4.999395   6.074853   3.037479   5.725483   3.060467
    22  H    6.070333   7.242718   3.744086   6.694863   2.505604
    23  H    4.596554   6.183544   2.189699   6.216186   2.475743
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.805286   0.000000
    18  H    2.676320   1.773071   0.000000
    19  H    5.235142   4.025726   3.574587   0.000000
    20  H    4.584402   3.588119   2.443642   1.768069   0.000000
    21  H    1.091985   3.272355   2.542149   5.393575   4.418154
    22  H    1.092333   2.549403   2.896725   5.778029   5.118298
    23  H    1.089137   3.759798   3.724072   5.914710   5.421792
                   21         22         23
    21  H    0.000000
    22  H    1.769148   0.000000
    23  H    1.763385   1.757424   0.000000
 Stoichiometry    C10H12O
 Framework group  C1[X(C10H12O)]
 Deg. of freedom    63
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.475896    1.063550   -0.098164
      2          6           0        2.818875   -0.266215    0.119370
      3          6           0        1.142334    1.417940   -0.238522
      4          6           0        0.125866    0.463720   -0.164411
      5          6           0        0.479308   -0.873519    0.040878
      6          6           0        1.819829   -1.224692    0.185806
      7          6           0       -1.334336    0.847139   -0.328494
      8          6           0       -2.230548   -0.293378    0.146590
      9          8           0       -1.828910   -1.535993   -0.399339
     10          6           0       -0.581007   -1.944665    0.122977
     11          1           0        3.245503    1.822195   -0.159561
     12          1           0        3.856711   -0.553358    0.228132
     13          1           0        0.889253    2.456036   -0.408732
     14          1           0        2.081007   -2.265247    0.343936
     15          1           0       -1.525132    0.979693   -1.399895
     16          6           0       -1.715470    2.141812    0.391759
     17          1           0       -3.260415   -0.130838   -0.172010
     18          1           0       -2.217846   -0.344198    1.246196
     19          1           0       -0.278754   -2.821206   -0.451456
     20          1           0       -0.704522   -2.261367    1.170694
     21          1           0       -1.478710    2.079067    1.455920
     22          1           0       -2.786635    2.330893    0.291531
     23          1           0       -1.193667    3.006125   -0.016779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.8103692           1.0572860           0.6960413
 Leave Link  202 at Fri Jul 16 19:14:05 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     17     18     19     20     21
 Centers:      22     23
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 404 were deleted.
 There are   383 symmetry adapted cartesian basis functions of A   symmetry.
 There are   361 symmetry adapted basis functions of A   symmetry.
   361 basis functions,   661 primitive gaussians,   383 cartesian basis functions
    40 alpha electrons       40 beta electrons
       nuclear repulsion energy       605.7646973284 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   23 NActive=   23 NUniq=   23 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul 16 19:14:07 2021, MaxMem=  5637144576 cpu:              13.9 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   361 RedAO= T EigKep=  1.12D-06  NBF=   361
 NBsUse=   361 1.00D-06 EigRej= -1.00D+00 NBFU=   361
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   383   383   383   383   383 MxSgAt=    23 MxSgA2=    23.
 Leave Link  302 at Fri Jul 16 19:14:08 2021, MaxMem=  5637144576 cpu:               6.1 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 19:14:09 2021, MaxMem=  5637144576 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "25_methylisochromane_Chair_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 19:14:10 2021, MaxMem=  5637144576 cpu:               5.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636844431 LenY=  5636697301
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -462.120374846992    
 DIIS: error= 2.32D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -462.120374846992     IErMin= 1 ErrMin= 2.32D-03
 ErrMax= 2.32D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-02 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.32D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.369 Goal=   None    Shift=    0.000
 GapD=    0.369 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.94D-02 MaxDP=4.51D+00              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.04D-02    CP:  1.42D+00
 E= -462.130324819406     Delta-E=       -0.009949972415 Rises=F Damp=F
 DIIS: error= 1.05D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -462.130324819406     IErMin= 2 ErrMin= 1.05D-03
 ErrMax= 1.05D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-03 BMatP= 1.15D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.05D-02
 Coeff-Com:  0.138D+00 0.862D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.137D+00 0.863D+00
 Gap=     0.362 Goal=   None    Shift=    0.000
 RMSDP=8.62D-03 MaxDP=6.67D-01 DE=-9.95D-03 OVMax= 9.69D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.98D-03    CP:  1.49D+00  1.13D+00
 E= -462.130504730383     Delta-E=       -0.000179910977 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -462.130504730383     IErMin= 3 ErrMin= 1.01D-03
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.33D-03 BMatP= 1.46D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.01D-02
 Coeff-Com: -0.258D-01 0.493D+00 0.533D+00
 Coeff-En:   0.000D+00 0.456D+00 0.544D+00
 Coeff:     -0.256D-01 0.493D+00 0.533D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.40D-03 MaxDP=1.78D-01 DE=-1.80D-04 OVMax= 5.50D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.24D-04    CP:  1.51D+00  1.17D+00  1.21D+00
 E= -462.131442330381     Delta-E=       -0.000937599998 Rises=F Damp=F
 DIIS: error= 8.82D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -462.131442330381     IErMin= 4 ErrMin= 8.82D-05
 ErrMax= 8.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-05 BMatP= 1.33D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.849D-02 0.555D-01 0.117D+00 0.836D+00
 Coeff:     -0.849D-02 0.555D-01 0.117D+00 0.836D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=5.63D-04 MaxDP=4.17D-02 DE=-9.38D-04 OVMax= 8.46D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.58D-04    CP:  1.51D+00  1.17D+00  1.28D+00  1.15D+00
 E= -462.131453120136     Delta-E=       -0.000010789755 Rises=F Damp=F
 DIIS: error= 4.37D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -462.131453120136     IErMin= 5 ErrMin= 4.37D-05
 ErrMax= 4.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-06 BMatP= 1.19D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.664D-03-0.317D-01-0.101D-01 0.300D+00 0.743D+00
 Coeff:     -0.664D-03-0.317D-01-0.101D-01 0.300D+00 0.743D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.25D-04 MaxDP=8.03D-03 DE=-1.08D-05 OVMax= 3.36D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.38D-05    CP:  1.51D+00  1.18D+00  1.31D+00  1.20D+00  1.09D+00
 E= -462.131454998005     Delta-E=       -0.000001877869 Rises=F Damp=F
 DIIS: error= 1.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -462.131454998005     IErMin= 6 ErrMin= 1.14D-05
 ErrMax= 1.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-07 BMatP= 1.68D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.402D-03-0.142D-01-0.110D-01 0.439D-01 0.246D+00 0.735D+00
 Coeff:      0.402D-03-0.142D-01-0.110D-01 0.439D-01 0.246D+00 0.735D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=2.32D-05 MaxDP=7.67D-04 DE=-1.88D-06 OVMax= 1.70D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.53D-05    CP:  1.51D+00  1.18D+00  1.31D+00  1.21D+00  1.16D+00
                    CP:  1.14D+00
 E= -462.131455135489     Delta-E=       -0.000000137484 Rises=F Damp=F
 DIIS: error= 4.51D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -462.131455135489     IErMin= 7 ErrMin= 4.51D-06
 ErrMax= 4.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.34D-08 BMatP= 1.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.302D-03-0.292D-02-0.389D-02-0.145D-01 0.222D-01 0.332D+00
 Coeff-Com:  0.667D+00
 Coeff:      0.302D-03-0.292D-02-0.389D-02-0.145D-01 0.222D-01 0.332D+00
 Coeff:      0.667D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.07D-05 MaxDP=6.24D-04 DE=-1.37D-07 OVMax= 5.23D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.62D-06    CP:  1.51D+00  1.18D+00  1.32D+00  1.22D+00  1.17D+00
                    CP:  1.21D+00  1.07D+00
 E= -462.131455164762     Delta-E=       -0.000000029273 Rises=F Damp=F
 DIIS: error= 8.72D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -462.131455164762     IErMin= 8 ErrMin= 8.72D-07
 ErrMax= 8.72D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-09 BMatP= 2.34D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.253D-05 0.121D-02 0.737D-03-0.913D-02-0.292D-01-0.152D-01
 Coeff-Com:  0.152D+00 0.899D+00
 Coeff:     -0.253D-05 0.121D-02 0.737D-03-0.913D-02-0.292D-01-0.152D-01
 Coeff:      0.152D+00 0.899D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=5.62D-06 MaxDP=3.51D-04 DE=-2.93D-08 OVMax= 2.38D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.36D-06    CP:  1.51D+00  1.18D+00  1.32D+00  1.22D+00  1.18D+00
                    CP:  1.24D+00  1.15D+00  1.11D+00
 E= -462.131455167127     Delta-E=       -0.000000002365 Rises=F Damp=F
 DIIS: error= 2.96D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -462.131455167127     IErMin= 9 ErrMin= 2.96D-07
 ErrMax= 2.96D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-10 BMatP= 1.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.214D-04 0.659D-03 0.565D-03-0.252D-02-0.130D-01-0.294D-01
 Coeff-Com:  0.515D-02 0.345D+00 0.694D+00
 Coeff:     -0.214D-04 0.659D-03 0.565D-03-0.252D-02-0.130D-01-0.294D-01
 Coeff:      0.515D-02 0.345D+00 0.694D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=6.84D-07 MaxDP=2.93D-05 DE=-2.37D-09 OVMax= 5.67D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.80D-07    CP:  1.51D+00  1.18D+00  1.32D+00  1.22D+00  1.18D+00
                    CP:  1.25D+00  1.16D+00  1.15D+00  9.83D-01
 E= -462.131455167402     Delta-E=       -0.000000000275 Rises=F Damp=F
 DIIS: error= 1.01D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -462.131455167402     IErMin=10 ErrMin= 1.01D-07
 ErrMax= 1.01D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.77D-11 BMatP= 1.74D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.731D-05 0.246D-04 0.767D-04 0.722D-03 0.628D-03-0.659D-02
 Coeff-Com: -0.248D-01-0.309D-01 0.218D+00 0.842D+00
 Coeff:     -0.731D-05 0.246D-04 0.767D-04 0.722D-03 0.628D-03-0.659D-02
 Coeff:     -0.248D-01-0.309D-01 0.218D+00 0.842D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.95D-07 MaxDP=2.83D-05 DE=-2.75D-10 OVMax= 3.23D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.61D-07    CP:  1.51D+00  1.18D+00  1.32D+00  1.22D+00  1.18D+00
                    CP:  1.24D+00  1.15D+00  1.17D+00  1.05D+00  9.93D-01
 E= -462.131455167454     Delta-E=       -0.000000000051 Rises=F Damp=F
 DIIS: error= 3.88D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -462.131455167454     IErMin=11 ErrMin= 3.88D-08
 ErrMax= 3.88D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-12 BMatP= 1.77D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-06-0.495D-04-0.281D-04 0.440D-03 0.125D-02 0.545D-03
 Coeff-Com: -0.739D-02-0.377D-01 0.392D-03 0.234D+00 0.809D+00
 Coeff:     -0.133D-06-0.495D-04-0.281D-04 0.440D-03 0.125D-02 0.545D-03
 Coeff:     -0.739D-02-0.377D-01 0.392D-03 0.234D+00 0.809D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.58D-07 MaxDP=9.39D-06 DE=-5.12D-11 OVMax= 9.15D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.58D-08    CP:  1.51D+00  1.18D+00  1.32D+00  1.22D+00  1.18D+00
                    CP:  1.24D+00  1.15D+00  1.17D+00  1.05D+00  1.06D+00
                    CP:  1.10D+00
 E= -462.131455167385     Delta-E=        0.000000000069 Rises=F Damp=F
 DIIS: error= 1.62D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -462.131455167454     IErMin=12 ErrMin= 1.62D-08
 ErrMax= 1.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.85D-13 BMatP= 1.53D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.684D-06-0.240D-04-0.216D-04 0.112D-03 0.455D-03 0.978D-03
 Coeff-Com: -0.260D-03-0.128D-01-0.247D-01 0.658D-02 0.367D+00 0.663D+00
 Coeff:      0.684D-06-0.240D-04-0.216D-04 0.112D-03 0.455D-03 0.978D-03
 Coeff:     -0.260D-03-0.128D-01-0.247D-01 0.658D-02 0.367D+00 0.663D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.37D-08 MaxDP=3.33D-06 DE= 6.87D-11 OVMax= 3.70D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.51D-08    CP:  1.51D+00  1.18D+00  1.32D+00  1.22D+00  1.18D+00
                    CP:  1.24D+00  1.15D+00  1.17D+00  1.04D+00  1.06D+00
                    CP:  1.16D+00  1.04D+00
 E= -462.131455167458     Delta-E=       -0.000000000073 Rises=F Damp=F
 DIIS: error= 5.83D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -462.131455167458     IErMin=13 ErrMin= 5.83D-09
 ErrMax= 5.83D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.11D-14 BMatP= 3.85D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.260D-06-0.980D-07-0.303D-05-0.299D-04-0.517D-04 0.203D-03
 Coeff-Com:  0.102D-02 0.164D-02-0.783D-02-0.331D-01-0.200D-01 0.181D+00
 Coeff-Com:  0.877D+00
 Coeff:      0.260D-06-0.980D-07-0.303D-05-0.299D-04-0.517D-04 0.203D-03
 Coeff:      0.102D-02 0.164D-02-0.783D-02-0.331D-01-0.200D-01 0.181D+00
 Coeff:      0.877D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.31D-08 MaxDP=5.81D-07 DE=-7.32D-11 OVMax= 1.90D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.71D-09    CP:  1.51D+00  1.18D+00  1.32D+00  1.22D+00  1.18D+00
                    CP:  1.24D+00  1.15D+00  1.17D+00  1.04D+00  1.06D+00
                    CP:  1.18D+00  1.13D+00  1.07D+00
 E= -462.131455167483     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 1.69D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -462.131455167483     IErMin=14 ErrMin= 1.69D-09
 ErrMax= 1.69D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.34D-15 BMatP= 3.11D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.754D-08 0.311D-05 0.187D-05-0.234D-04-0.730D-04-0.629D-04
 Coeff-Com:  0.348D-03 0.216D-02 0.937D-03-0.103D-01-0.546D-01-0.317D-01
 Coeff-Com:  0.281D+00 0.812D+00
 Coeff:     -0.754D-08 0.311D-05 0.187D-05-0.234D-04-0.730D-04-0.629D-04
 Coeff:      0.348D-03 0.216D-02 0.937D-03-0.103D-01-0.546D-01-0.317D-01
 Coeff:      0.281D+00 0.812D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.67D-09 MaxDP=3.23D-07 DE=-2.48D-11 OVMax= 6.44D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -462.131455167     A.U. after   14 cycles
            NFock= 14  Conv=0.47D-08     -V/T= 2.0047
 KE= 4.599795581649D+02 PE=-2.287419741489D+03 EE= 7.595440308280D+02
 Leave Link  502 at Fri Jul 16 19:23:48 2021, MaxMem=  5637144576 cpu:            4606.0 elap:             577.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   361
 NBasis=   361 NAE=    40 NBE=    40 NFC=     0 NFV=     0
 NROrb=    361 NOA=    40 NOB=    40 NVA=   321 NVB=   321

 **** Warning!!: The largest alpha MO coefficient is  0.15363213D+03

 Leave Link  801 at Fri Jul 16 19:23:48 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7107 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          23
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.14D-13 8.33D-09 XBig12= 1.00D+00 2.97D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.14D-13 8.33D-09 XBig12= 2.09D-01 5.03D-02.
     11 vectors produced by pass  2 Test12= 2.14D-13 8.33D-09 XBig12= 4.61D-02 5.75D-02.
     11 vectors produced by pass  3 Test12= 2.14D-13 8.33D-09 XBig12= 3.86D-03 1.27D-02.
     11 vectors produced by pass  4 Test12= 2.14D-13 8.33D-09 XBig12= 6.30D-04 5.58D-03.
     11 vectors produced by pass  5 Test12= 2.14D-13 8.33D-09 XBig12= 6.29D-05 1.08D-03.
     11 vectors produced by pass  6 Test12= 2.14D-13 8.33D-09 XBig12= 3.05D-06 2.17D-04.
     11 vectors produced by pass  7 Test12= 2.14D-13 8.33D-09 XBig12= 1.12D-07 5.62D-05.
     11 vectors produced by pass  8 Test12= 2.14D-13 8.33D-09 XBig12= 3.53D-09 1.05D-05.
     11 vectors produced by pass  9 Test12= 2.14D-13 8.33D-09 XBig12= 9.82D-11 1.15D-06.
      8 vectors produced by pass 10 Test12= 2.14D-13 8.33D-09 XBig12= 1.95D-12 2.07D-07.
      3 vectors produced by pass 11 Test12= 2.14D-13 8.33D-09 XBig12= 4.98D-14 3.48D-08.
      2 vectors produced by pass 12 Test12= 2.14D-13 8.33D-09 XBig12= 2.54D-14 1.60D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   123 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.152727D+03
      2 -0.250477D+01  0.135807D+03
      3  0.735069D+00 -0.468833D+01  0.859870D+02
 Isotropic polarizability for W=    0.085645      124.84 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.132365D+03  0.748327D+01 -0.659967D+01
      2  -0.714461D+02  0.192666D+02 -0.138459D+02
      3  -0.609194D+02 -0.267498D+02  0.204456D+02
      4   0.570907D+02  0.596379D+02 -0.187079D+02
      5   0.173447D+02 -0.191402D+02 -0.131098D+02
      6  -0.538048D+01  0.132609D+02  0.193781D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.489153D+01  0.356968D+00 -0.119974D+02
      2   0.566249D+01 -0.124986D+02 -0.300981D+01
      3   0.783178D+01 -0.462576D+02  0.945612D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.432233D+00  0.271068D+02 -0.461280D+02
      2  -0.239443D+02 -0.133275D+02  0.478095D+02
      3   0.496074D+02 -0.131084D+03  0.137597D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.162931D+01 -0.110956D+01  0.147633D+01
      2  -0.110956D+01  0.384196D+01  0.190755D+01
      3   0.147633D+01  0.190755D+01 -0.363627D+00
 OR G Eigenvalues:    -3.1799     0.4062     4.6227  Iso=    -0.6163
 Eigenvectors:
   (1)   0.759411   0.279591  -0.587472
   (2)   0.644638  -0.201286   0.737513
   (3)  -0.087952   0.938783   0.333094
 w=    0.085645 a.u., Optical Rotation Beta=     -0.6163 au.
 Molar Mass =    148.2042 grams/mole, [Alpha] ( 5320.0 A) =     -197.24 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   65341 ScalPx= 2.44D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.53D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.57D-14 2.78D-09 XBig12= 1.00D+00 3.16D-01.
     30 vectors produced by pass  1 Test12= 3.57D-14 2.78D-09 XBig12= 4.95D-02 2.30D-02.
     30 vectors produced by pass  2 Test12= 3.57D-14 2.78D-09 XBig12= 1.87D-03 4.80D-03.
     30 vectors produced by pass  3 Test12= 3.57D-14 2.78D-09 XBig12= 2.96D-05 7.04D-04.
     30 vectors produced by pass  4 Test12= 3.57D-14 2.78D-09 XBig12= 6.76D-07 9.95D-05.
     30 vectors produced by pass  5 Test12= 3.57D-14 2.78D-09 XBig12= 1.29D-08 1.46D-05.
     30 vectors produced by pass  6 Test12= 3.57D-14 2.78D-09 XBig12= 1.85D-10 1.86D-06.
     30 vectors produced by pass  7 Test12= 3.57D-14 2.78D-09 XBig12= 1.76D-12 1.28D-07.
     18 vectors produced by pass  8 Test12= 3.57D-14 2.78D-09 XBig12= 1.70D-14 1.27D-08.
      7 vectors produced by pass  9 Test12= 3.57D-14 2.78D-09 XBig12= 3.33D-15 7.36D-09.
      1 vectors produced by pass 10 Test12= 3.57D-14 2.78D-09 XBig12= 7.07D-16 2.81D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   266 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 5.61D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   65341 ScalPx= 5.61D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   65341 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.67D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152727D+03 -0.250477D+01  0.735069D+00
      2  -0.250477D+01  0.135807D+03 -0.468833D+01
      3   0.735069D+00 -0.468833D+01  0.859870D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.489153D+01  0.356968D+00 -0.119974D+02
      2   0.566249D+01 -0.124986D+02 -0.300981D+01
      3   0.783178D+01 -0.462576D+02  0.945612D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.132365D+03  0.748327D+01 -0.659967D+01
      2  -0.714461D+02  0.192666D+02 -0.138459D+02
      3  -0.609194D+02 -0.267498D+02  0.204456D+02
      4   0.570907D+02  0.596379D+02 -0.187079D+02
      5   0.173447D+02 -0.191402D+02 -0.131098D+02
      6  -0.538048D+01  0.132609D+02  0.193781D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128329D+01  0.177469D+01 -0.652533D+00  0.494107D+01 -0.731840D+00
      2   0.177469D+01  0.189570D+01 -0.173852D+00 -0.731840D+00  0.246859D+01
      3  -0.652533D+00 -0.173852D+00  0.189124D+01  0.912485D+00  0.368786D+00
                 6             7             8             9            10 
      1   0.912485D+00 -0.119080D+01  0.603042D+00  0.400972D+01  0.531451D+01
      2   0.368786D+00  0.603042D+00  0.746645D+00  0.329647D+01 -0.973769D+00
      3   0.215003D+01  0.400972D+01  0.329647D+01 -0.856889D+00 -0.273286D+00
                11            12            13            14            15 
      1  -0.973769D+00 -0.273286D+00 -0.176384D+01 -0.182957D+01  0.927795D+00
      2   0.261345D+01  0.782874D-01 -0.182957D+01 -0.279094D+01  0.109835D+00
      3   0.782874D-01  0.257726D+01  0.927795D+00  0.109835D+00 -0.918693D+00
                16            17            18            19            20 
      1  -0.265801D-01  0.983673D+00  0.532458D+01  0.944816D+00 -0.474415D+01
      2   0.983673D+00  0.323568D+00 -0.125860D+01 -0.474415D+01 -0.965633D+00
      3   0.532458D+01 -0.125860D+01  0.109432D+01  0.656005D+00 -0.259834D+00
                21            22            23            24            25 
      1   0.656005D+00  0.475601D+01 -0.107393D+01  0.115331D+00 -0.151327D-03
      2  -0.259834D+00 -0.107393D+01  0.225327D+01  0.582765D+00 -0.280232D+00
      3  -0.942320D+00  0.115331D+00  0.582765D+00  0.170654D+01 -0.129225D+00
                26            27            28            29            30 
      1  -0.280232D+00 -0.129225D+00 -0.140478D+02  0.479260D+01 -0.148362D+01
      2   0.473413D+00  0.365040D+01  0.479260D+01 -0.475826D+01  0.710483D+00
      3   0.365040D+01 -0.166597D+01 -0.148362D+01  0.710483D+00 -0.160293D+01
                31            32            33            34            35 
      1   0.823234D+01  0.236459D+01 -0.265376D+00 -0.132308D+01 -0.644163D+00
      2   0.236459D+01  0.214271D+01  0.204093D+00 -0.644163D+00  0.104651D-01
      3  -0.265376D+00  0.204093D+00  0.599463D-01 -0.293824D+01  0.131417D+01
                36            37            38            39            40 
      1  -0.293824D+01 -0.637155D+00 -0.435499D+01  0.528179D+00 -0.128901D+02
      2   0.131417D+01 -0.435499D+01 -0.695522D+01  0.104382D+01 -0.344258D+01
      3  -0.134182D+01  0.528179D+00  0.104382D+01 -0.146031D+01  0.275479D+00
                41            42            43            44            45 
      1  -0.344258D+01  0.275479D+00  0.210934D+01  0.982327D-01 -0.194382D+01
      2  -0.675216D+01  0.125175D+00  0.982327D-01 -0.219129D+00 -0.296329D+01
      3   0.125175D+00 -0.737803D+00 -0.194382D+01 -0.296329D+01  0.771746D+00
                46            47            48            49            50 
      1  -0.292211D+01  0.360239D+01 -0.562387D+00 -0.442721D+01  0.674185D+00
      2   0.360239D+01  0.306894D+01 -0.805335D-01  0.674185D+00 -0.523795D+00
      3  -0.562387D+00 -0.805335D-01 -0.184260D+00  0.543332D-01 -0.639924D+00
                51            52            53            54            55 
      1   0.543332D-01  0.116902D-01  0.783509D+00  0.162842D+01  0.316126D+01
      2  -0.639924D+00  0.783509D+00 -0.320231D+00 -0.360769D+01 -0.778905D+00
      3  -0.210736D+01  0.162842D+01 -0.360769D+01  0.129388D+01  0.886226D+00
                56            57            58            59            60 
      1  -0.778905D+00  0.886226D+00 -0.124896D+01  0.384384D+01 -0.495405D+00
      2   0.303832D+01 -0.301520D+00  0.384384D+01 -0.161500D+01 -0.158175D+01
      3  -0.301520D+00  0.170961D+01 -0.495405D+00 -0.158175D+01 -0.821902D+00
                61            62            63            64            65 
      1   0.322821D+01 -0.732278D+00  0.289716D+01  0.692653D+01 -0.181860D+01
      2  -0.732278D+00 -0.179787D+01 -0.118832D+01 -0.181860D+01 -0.215101D+01
      3   0.289716D+01 -0.118832D+01  0.801662D+01  0.164678D+01 -0.399486D-01
                66            67            68            69            70 
      1   0.164678D+01 -0.411667D+01 -0.113117D+01  0.674564D+00  0.167789D+01
      2  -0.399486D-01 -0.113117D+01  0.140633D+01  0.108614D+01  0.155810D+00
      3  -0.594860D-01  0.674564D+00  0.108614D+01 -0.610199D+00  0.207241D+01
                71            72            73            74            75 
      1   0.155810D+00  0.207241D+01 -0.524620D+01 -0.145174D+01 -0.140660D+01
      2   0.140232D+01  0.422349D+00 -0.145174D+01  0.656712D+00 -0.129156D+01
      3   0.422349D+00 -0.816374D+01 -0.140660D+01 -0.129156D+01  0.152287D+00
                76            77            78            79            80 
      1   0.630510D+00 -0.148205D+01 -0.753902D+00 -0.158851D+01  0.162432D+00
      2  -0.148205D+01 -0.508091D+01 -0.122041D+01  0.162432D+00 -0.115588D+01
      3  -0.753902D+00 -0.122041D+01  0.222821D+00 -0.181137D+01 -0.209359D+01
                81            82            83            84            85 
      1  -0.181137D+01  0.306697D+01  0.984354D+00  0.119273D+00  0.168950D+01
      2  -0.209359D+01  0.984354D+00 -0.987721D+00 -0.452852D+00  0.293441D+01
      3   0.192513D+00  0.119273D+00 -0.452852D+00 -0.321435D-01 -0.132503D+01
                86            87            88            89            90 
      1   0.293441D+01 -0.132503D+01 -0.122179D+01 -0.291983D+01  0.211143D+01
      2   0.865848D+01  0.184198D+00 -0.291983D+01 -0.142134D+01  0.597726D+01
      3   0.184198D+00  0.235465D+01  0.211143D+01  0.597726D+01 -0.551797D+01
                91            92            93            94            95 
      1   0.705831D+01  0.437264D+01 -0.342579D+00  0.450823D+01  0.442132D+01
      2   0.437264D+01  0.340983D+01 -0.184450D+00  0.442132D+01  0.525513D+01
      3  -0.342579D+00 -0.184450D+00  0.724813D+00 -0.507389D+00 -0.486526D+00
                96            97            98            99           100 
      1  -0.507389D+00 -0.208459D+00 -0.361439D+00  0.304433D-02  0.129505D+02
      2  -0.486526D+00 -0.361439D+00 -0.555816D+00  0.460151D-01 -0.245277D+01
      3   0.744069D+00  0.304433D-02  0.460151D-01 -0.525343D-01  0.100265D+01
               101           102           103           104           105 
      1  -0.245277D+01  0.100265D+01 -0.258549D+01  0.211320D+01 -0.428444D+00
      2   0.129719D+01 -0.169924D+00  0.211320D+01 -0.111106D+01  0.231382D+00
      3  -0.169924D+00  0.104927D+01 -0.428444D+00  0.231382D+00 -0.326053D+00
               106           107           108           109           110 
      1   0.110934D+01 -0.491761D+00  0.681197D-01 -0.102679D+01  0.146712D+01
      2  -0.491761D+00  0.153494D+00 -0.448105D-01  0.146712D+01 -0.976682D+00
      3   0.681197D-01 -0.448105D-01  0.105098D+00 -0.101340D+00  0.152353D+00
               111           112           113           114           115 
      1  -0.101340D+00  0.149363D+01 -0.106227D+01  0.698133D-01 -0.279876D+00
      2   0.152353D+00 -0.106227D+01  0.888727D+01 -0.136415D+01  0.241651D+00
      3  -0.724872D-01  0.698133D-01 -0.136415D+01  0.107865D+01  0.507659D-01
               116           117           118           119           120 
      1   0.241651D+00  0.507659D-01  0.145910D+01 -0.192633D+01  0.282219D+00
      2  -0.150978D+01  0.307487D+00 -0.192633D+01  0.222260D+01 -0.341506D+00
      3   0.307487D+00 -0.307656D+00  0.282219D+00 -0.341506D+00  0.406484D+00
               121           122           123           124           125 
      1  -0.207302D+01  0.295491D+01 -0.410317D+00  0.489415D+00 -0.486102D+00
      2   0.295491D+01 -0.981117D+01  0.124083D+01 -0.486102D+00  0.135435D+01
      3  -0.410317D+00  0.124083D+01 -0.109202D+01  0.185949D+00 -0.352370D+00
               126           127           128           129           130 
      1   0.185949D+00 -0.211020D+01  0.269155D+00 -0.173448D+01  0.760240D+00
      2  -0.352370D+00  0.269155D+00 -0.738340D+00  0.298131D+00 -0.165521D+01
      3   0.255041D+00 -0.173448D+01  0.298131D+00 -0.167975D+01  0.420939D+00
               131           132           133           134           135 
      1  -0.165521D+01  0.420939D+00 -0.483088D+01  0.132845D+01 -0.316135D+01
      2   0.141576D+01 -0.941655D+00  0.132845D+01 -0.167751D+01  0.139545D+01
      3  -0.941655D+00  0.788251D+00 -0.316135D+01  0.139545D+01 -0.848168D+01
               136           137           138           139           140 
      1   0.787263D+01 -0.320103D+01  0.985727D+00 -0.639752D+00 -0.332205D+01
      2  -0.320103D+01 -0.223613D+01  0.880259D-01 -0.332205D+01  0.171958D+00
      3   0.985727D+00  0.880259D-01 -0.167517D+01  0.183550D+00  0.265473D+01
               141           142           143           144           145 
      1   0.183550D+00  0.138750D+01 -0.675530D+00 -0.133491D+01 -0.118905D+02
      2   0.265473D+01 -0.675530D+00  0.349141D+01 -0.352347D+00  0.603704D+00
      3   0.495952D-01 -0.133491D+01 -0.352347D+00 -0.567604D+01 -0.137017D+01
               146           147           148           149           150 
      1   0.603704D+00 -0.137017D+01  0.167643D+01 -0.131949D+01  0.103967D+00
      2  -0.114010D+01  0.244942D-01 -0.131949D+01  0.409772D+00 -0.397888D+00
      3   0.244942D-01 -0.118673D+01  0.103967D+00 -0.397888D+00 -0.407019D-02
               151           152           153           154           155 
      1  -0.293510D+01  0.171510D+00 -0.171986D+01 -0.116543D+01  0.381039D-01
      2   0.171510D+00 -0.744515D+00  0.208317D-01  0.381039D-01  0.383305D+00
      3  -0.171986D+01  0.208317D-01 -0.358077D+00  0.987822D+00  0.268988D-01
               156           157           158           159           160 
      1   0.987822D+00  0.203096D+00 -0.263253D+00 -0.702797D-01  0.230130D+01
      2   0.268988D-01 -0.263253D+00 -0.175281D+00  0.104323D+01 -0.675473D-01
      3   0.269401D+00 -0.702797D-01  0.104323D+01 -0.389115D+00 -0.281107D+01
               161           162           163           164           165 
      1  -0.675473D-01 -0.281107D+01  0.795097D+00 -0.722926D+00 -0.610484D+00
      2   0.172121D+01 -0.179191D+00 -0.722926D+00  0.237006D+01  0.561492D+00
      3  -0.179191D+00  0.794098D+01 -0.610484D+00  0.561492D+00  0.240361D+00
               166           167           168           169           170 
      1  -0.158564D+01 -0.571458D+00  0.202770D+00 -0.964433D+00  0.202095D+00
      2  -0.571458D+00 -0.948146D+01 -0.224388D+01  0.202095D+00 -0.382981D+01
      3   0.202770D+00 -0.224388D+01 -0.169575D+01 -0.216228D+00 -0.273990D+01
               171           172           173           174           175 
      1  -0.216228D+00 -0.139108D+01 -0.970656D+00  0.134435D+01 -0.713347D+00
      2  -0.273990D+01 -0.970656D+00 -0.265419D+00  0.502600D+00 -0.124928D+01
      3  -0.135728D+01  0.134435D+01  0.502600D+00 -0.103718D+01  0.568532D+00
               176           177           178           179           180 
      1  -0.124928D+01  0.568532D+00  0.306769D+01  0.190505D+01 -0.151811D+01
      2  -0.438882D+01  0.218066D+01  0.190505D+01  0.492556D+01 -0.489748D+01
      3   0.218066D+01 -0.170741D+01 -0.151811D+01 -0.489748D+01  0.715385D+01
               181           182           183           184           185 
      1  -0.133283D+00  0.278821D+00  0.663003D+00 -0.362088D+00  0.401372D+00
      2   0.278821D+00  0.754191D+00  0.259628D+00  0.401372D+00  0.188974D+00
      3   0.663003D+00  0.259628D+00  0.128165D+01  0.816191D-01  0.443137D+00
               186           187           188           189           190 
      1   0.816191D-01  0.143309D+01 -0.446492D+00 -0.196326D+00 -0.109702D+02
      2   0.443137D+00 -0.446492D+00  0.188718D+01  0.151164D+01  0.422104D+01
      3  -0.164009D+00 -0.196326D+00  0.151164D+01  0.726416D+01  0.977612D-03
               191           192           193           194           195 
      1   0.422104D+01  0.977612D-03  0.193196D+01 -0.150426D+01  0.125623D-01
      2  -0.309505D+01 -0.227277D+00 -0.150426D+01  0.145030D+01 -0.286120D+00
      3  -0.227277D+00 -0.117422D+01  0.125623D-01 -0.286120D+00  0.205735D+00
               196           197           198           199           200 
      1  -0.111856D+01  0.383653D+00 -0.100282D+01  0.707698D+00  0.991244D+00
      2   0.383653D+00 -0.803923D+00  0.540111D+00  0.991244D+00  0.255929D+01
      3  -0.100282D+01  0.540111D+00  0.180083D+00 -0.565738D+00 -0.222960D+00
               201           202           203           204           205 
      1  -0.565738D+00  0.158315D+01  0.930587D+00 -0.347597D+00 -0.112724D+01
      2  -0.222960D+00  0.930587D+00  0.702204D+01 -0.129264D+01  0.862706D-01
      3   0.804607D+00 -0.347597D+00 -0.129264D+01  0.121410D+01  0.431730D+00
               206           207 
      1   0.862706D-01  0.431730D+00
      2  -0.245383D+01  0.119541D+01
      3   0.119541D+01 -0.488653D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.928348D+00 -0.553699D-01 -0.393219D+01 -0.158473D+01  0.155765D+00
      2  -0.115275D+01 -0.168300D+01  0.425390D+01  0.144837D+01  0.215922D+01
      3  -0.493153D+01 -0.127268D+02  0.114949D+01  0.728562D+01 -0.125776D+01
                 6             7             8             9            10 
      1  -0.517815D+00 -0.816804D+01  0.531081D+01 -0.107816D+01 -0.814373D-01
      2   0.673101D+01  0.528024D+00  0.118032D+02 -0.295933D+01  0.834802D+00
      3  -0.103482D+01 -0.233836D+01 -0.289803D+01 -0.484833D+01  0.340998D+01
                11            12            13            14            15 
      1  -0.184695D+00  0.154326D+01  0.297250D+00  0.257855D+01  0.200040D+01
      2  -0.174648D+00  0.814127D+01  0.304744D+01 -0.112850D+01 -0.304844D+01
      3  -0.104053D+02  0.355984D+00  0.111500D+02  0.691153D+00  0.139286D+01
                16            17            18            19            20 
      1   0.396518D+01  0.112398D+02 -0.150618D+01 -0.219747D+00 -0.447085D-01
      2   0.921731D+01 -0.542095D+01  0.343452D+01  0.257571D+01 -0.209766D+01
      3  -0.307164D+01  0.672186D+00  0.209324D+01  0.705505D+01 -0.517854D+01
                21            22            23            24            25 
      1   0.332771D+01  0.827228D+00  0.182534D+00 -0.315695D+01  0.243776D+01
      2  -0.195806D+01 -0.150303D+01 -0.945830D-01  0.304330D+01 -0.145359D+02
      3   0.176677D+01  0.449884D+01 -0.843519D+01 -0.646903D+00  0.373027D+01
                26            27            28            29            30 
      1   0.804984D+00  0.105194D+01 -0.367465D+00 -0.324288D+00  0.130482D+01
      2   0.437590D+01 -0.240495D+01  0.775578D+00  0.164486D+01 -0.253462D+01
      3  -0.118009D+01 -0.693432D+01 -0.371458D+01  0.136782D+02 -0.198610D+01
                31            32            33            34            35 
      1  -0.142718D+01  0.209248D+01 -0.507721D+00  0.270348D+01  0.104156D+02
      2   0.701436D+00 -0.114582D+01  0.576118D+00 -0.145146D+02  0.104483D+01
      3   0.130597D+02 -0.111023D+02  0.253685D+01  0.827702D+00  0.232884D+01
                36            37            38            39            40 
      1  -0.581958D+00  0.127596D+01  0.170020D+00 -0.825744D+00 -0.324141D+00
      2  -0.125882D+01  0.117908D+00 -0.400817D+00 -0.143241D+01 -0.327789D+01
      3  -0.256055D+01 -0.688935D+01  0.562924D+01 -0.557470D+00  0.110602D+02
                41            42            43            44            45 
      1   0.187368D+01 -0.608515D+00 -0.321742D+01  0.734281D+01 -0.471278D+00
      2   0.217982D+01 -0.118941D+01 -0.148563D+02 -0.140063D-01  0.244813D+00
      3   0.215048D+02 -0.252628D+01 -0.169803D+01 -0.692302D+00  0.401202D+01
                46            47            48            49            50 
      1  -0.130188D+01  0.251229D+00 -0.134441D+01 -0.273993D+00 -0.169192D+00
      2  -0.276042D+00 -0.651337D+00 -0.830378D+00 -0.170893D+01 -0.157787D+01
      3  -0.255451D+00 -0.134068D+02  0.130508D+01 -0.577448D+00  0.441725D+01
                51            52            53            54            55 
      1  -0.286756D+01  0.258712D+01  0.153721D+01  0.108662D+00  0.948170D+00
      2  -0.533400D+01 -0.990619D+01 -0.965040D+01  0.266493D+01  0.298522D+00
      3   0.898817D+00  0.160548D+01  0.111115D+01  0.692269D+01  0.396682D+01
                56            57            58            59            60 
      1   0.700797D+00 -0.239605D+01 -0.179766D+01  0.389727D+01 -0.450709D+00
      2  -0.759109D+00  0.889382D+00  0.199661D+00  0.367826D+01  0.297100D+00
      3  -0.196417D+01 -0.639878D+00  0.133552D+02  0.462179D+01 -0.497913D+01
                61            62            63            64            65 
      1  -0.403163D+01  0.724641D+01 -0.503773D+01 -0.562082D+00  0.431588D+00
      2  -0.755637D+01  0.776085D+00 -0.112694D+02 -0.937234D+01  0.128060D+01
      3   0.254569D+01 -0.689430D+01  0.133448D+01 -0.807577D+01 -0.943709D+01
                66            67            68            69            70 
      1  -0.129306D+00  0.133423D+01 -0.167120D+01  0.155081D+01  0.954143D+00
      2   0.588052D+00 -0.593259D+00 -0.242729D+01  0.186292D+01 -0.876997D+01
      3  -0.282815D+00 -0.865329D+01  0.575037D+01  0.383583D+01 -0.109521D+01
                71            72            73            74            75 
      1   0.163945D+01  0.279712D-01 -0.208807D+01 -0.494642D+00  0.152831D+01
      2  -0.241510D+01  0.200905D+02 -0.709828D-01  0.577632D+00  0.671868D+01
      3   0.240905D+01  0.378706D+00  0.124418D+02 -0.359088D+01  0.157716D+01
                76            77            78            79            80 
      1   0.509575D+00 -0.296160D+00 -0.675006D+01 -0.415740D+01  0.234709D+01
      2   0.106566D+01  0.252770D+01 -0.210763D+01 -0.414035D+01  0.369943D+01
      3   0.786977D+01 -0.128190D+02 -0.411148D+01  0.467147D+01 -0.602471D+01
                81            82            83            84            85 
      1  -0.174472D+01  0.641769D+00 -0.528446D+01 -0.201135D+01 -0.305220D+01
      2   0.104285D+01  0.349721D+01 -0.961933D+00 -0.220220D+01  0.449454D+00
      3  -0.641582D-01 -0.749098D+01 -0.257603D+01 -0.534025D+00  0.700299D+01
                86            87            88            89            90 
      1   0.504783D+01  0.555119D+01  0.751294D+01  0.189594D+02 -0.127517D+02
      2  -0.138513D+01  0.155849D+01 -0.329259D+01 -0.173697D+01  0.168984D+00
      3  -0.303016D+01  0.525653D+01  0.141763D+01  0.103763D+02 -0.746657D+00
                91            92            93            94            95 
      1  -0.598741D-01 -0.329107D+00 -0.253809D+01  0.315869D+00 -0.205378D-02
      2   0.315997D+00  0.277104D+00  0.394661D+01 -0.658611D+00 -0.654657D+00
      3  -0.237111D+01 -0.620001D+01  0.308496D-01 -0.468813D+01 -0.103327D+02
                96            97            98            99           100 
      1  -0.288129D+01  0.121303D+01  0.132309D+01  0.171308D+00  0.208078D+00
      2   0.359482D+01 -0.161740D+01 -0.109953D+01 -0.181926D+00  0.158053D+01
      3   0.604839D+00  0.117979D+01  0.162465D+01  0.551329D-01  0.260916D+01
               101           102           103           104           105 
      1   0.399251D+00  0.123885D+01  0.254757D-01 -0.841385D-01 -0.710928D+00
      2  -0.235812D+00  0.659902D+01 -0.116584D+01  0.582039D+00 -0.184296D+01
      3  -0.616793D+01  0.140310D+00 -0.464944D+01  0.315262D+01 -0.512539D+00
               106           107           108           109           110 
      1  -0.697086D+00  0.519225D+00  0.523518D-01 -0.541866D+00  0.378428D+00
      2  -0.258426D+01  0.563396D+00  0.397685D+00 -0.837644D+00  0.781847D+00
      3   0.170048D+01 -0.942683D+00  0.148109D+00 -0.674392D+01  0.509499D+01
               111           112           113           114           115 
      1   0.640930D+00  0.645806D+00 -0.942068D+00 -0.447786D+01 -0.497602D+00
      2  -0.340554D-01  0.120462D+01 -0.196016D+01  0.673268D+00 -0.138522D+01
      3  -0.187101D+00  0.907158D+01 -0.155019D+02  0.184104D+01 -0.555593D+00
               116           117           118           119           120 
      1   0.212461D+01  0.522225D+00  0.466210D-01 -0.230470D-01  0.135506D+01
      2   0.350793D+00  0.128495D+00  0.428920D+00 -0.435731D+00  0.115575D+01
      3   0.279725D+01 -0.681113D-01  0.168876D+01 -0.201730D+01  0.372176D+00
               121           122           123           124           125 
      1  -0.150927D-01 -0.303773D+00 -0.475496D+01 -0.118819D+00  0.184480D+01
      2  -0.127198D+00  0.231346D+01 -0.292659D+01 -0.113015D+01  0.197940D+00
      3   0.961962D+00  0.170514D+02 -0.207656D+01  0.426606D+00 -0.218920D+01
               126           127           128           129           130 
      1   0.496044D+00  0.202935D+01  0.934327D+00  0.125472D+01  0.101235D+01
      2   0.263133D+00  0.677341D+00 -0.808467D+00  0.303014D+01 -0.102311D+01
      3  -0.916442D-01 -0.206047D+01 -0.361335D+01 -0.127456D+01 -0.182969D+01
               131           132           133           134           135 
      1  -0.461184D+00 -0.176432D+01  0.184439D+01  0.128402D+01  0.695678D+01
      2   0.273626D+00 -0.109801D+01  0.691252D-01 -0.889869D+00  0.111848D+02
      3   0.917037D+00 -0.115559D+01 -0.349186D+01 -0.793114D+00 -0.369104D+00
               136           137           138           139           140 
      1  -0.430913D+01 -0.150300D+01  0.476816D+01  0.388390D+00 -0.112381D+02
      2  -0.546866D+01  0.242062D+01  0.490193D+01  0.181678D+01 -0.410717D+01
      3   0.148879D+02 -0.186026D+02  0.314711D+01 -0.105714D+02 -0.952661D+01
               141           142           143           144           145 
      1  -0.140710D+01  0.214619D+01  0.449700D+01  0.140425D+02 -0.831533D-01
      2  -0.890676D-01  0.275898D+00  0.155183D+01  0.115576D+02  0.493189D+01
      3   0.708362D+01  0.217988D+01  0.662975D+01 -0.470700D+01  0.466920D+01
               146           147           148           149           150 
      1   0.288536D+00  0.291242D-01 -0.134641D+00 -0.107787D+00 -0.755978D+00
      2  -0.973527D-01  0.645245D+01 -0.489838D+00  0.113491D+01 -0.475997D+00
      3  -0.756127D+01  0.579530D+00 -0.220739D+01  0.231083D+01 -0.129727D+01
               151           152           153           154           155 
      1  -0.437157D+00  0.914507D+00 -0.178981D+00 -0.113277D-01  0.635689D+00
      2   0.364520D+01 -0.469193D-01  0.139358D+01 -0.194726D+01  0.140579D+00
      3   0.697108D+00 -0.344882D+01  0.282212D+00  0.141359D+01  0.138484D+01
               156           157           158           159           160 
      1   0.157905D+00  0.448973D-01  0.230280D+00 -0.105470D+01 -0.676414D+00
      2   0.259670D+00  0.112277D+01 -0.280425D+01  0.621284D+00  0.209289D+01
      3  -0.340088D+00  0.201665D+01 -0.225370D+00  0.248595D+01 -0.108731D+01
               161           162           163           164           165 
      1   0.488723D+01  0.122150D+01 -0.129378D+01  0.179463D+01  0.112633D+01
      2   0.968118D+00 -0.199701D+02 -0.246604D+00 -0.671152D+00  0.950791D+00
      3   0.675867D+01  0.950470D+00 -0.287367D+01  0.695679D+00  0.258915D+01
               166           167           168           169           170 
      1  -0.331538D+00 -0.655611D+01 -0.667150D+01 -0.950250D+00 -0.613001D+01
      2  -0.434354D+00  0.140368D+01  0.327720D+00 -0.793899D+00  0.619068D+00
      3   0.544662D+01 -0.601544D+01 -0.281252D+01  0.402777D+01 -0.424341D+01
               171           172           173           174           175 
      1  -0.430190D+01  0.305105D+01  0.800850D+00 -0.215886D+01  0.163886D+01
      2   0.725026D+00  0.134420D+01  0.675822D+00  0.119053D+01  0.317836D+00
      3  -0.160338D+01  0.441052D+01  0.695003D+00 -0.307961D+01  0.175221D+01
               176           177           178           179           180 
      1   0.295741D+01 -0.506852D+01 -0.364995D+01 -0.810295D+01  0.171038D+02
      2  -0.513127D+00  0.660613D+00 -0.252141D+01  0.103600D+01 -0.208434D+01
      3  -0.138094D+01  0.891973D-01 -0.843398D+01 -0.200353D+01 -0.828930D+00
               181           182           183           184           185 
      1  -0.124453D+01  0.383115D+00 -0.314272D+01  0.734841D-01 -0.157214D+01
      2  -0.222562D+01 -0.366052D+00 -0.192844D+01  0.211073D+00 -0.785354D+00
      3   0.882532D+00  0.170993D+01  0.182032D+01  0.121475D+01  0.936096D+00
               186           187           188           189           190 
      1  -0.563338D+00 -0.202820D+00  0.538152D+00 -0.178154D+02  0.773228D+00
      2   0.244503D+00 -0.375712D+01 -0.240799D+01 -0.136780D+02  0.366447D+01
      3   0.720088D+00  0.317780D+01  0.297883D+01  0.364038D+01 -0.191882D+02
               191           192           193           194           195 
      1  -0.335637D+00  0.361606D+01 -0.301935D+00  0.119308D+01 -0.125516D+01
      2  -0.593627D+00  0.540040D+01 -0.987562D+00  0.101550D+01 -0.849499D+00
      3  -0.294311D+00 -0.789761D+00  0.363008D+01 -0.288760D+00 -0.104798D+01
               196           197           198           199           200 
      1   0.174799D+01 -0.216913D+00 -0.464574D+00  0.226177D+01  0.141050D+01
      2   0.982236D+00 -0.727216D+00 -0.342553D+00  0.921809D+00 -0.206556D+00
      3  -0.173223D+01 -0.129442D+01 -0.936703D+00  0.841195D+01  0.694935D+01
               201           202           203           204           205 
      1  -0.341253D+01  0.176273D+01  0.553923D+01 -0.587111D+01 -0.155981D+01
      2  -0.564732D+00  0.384511D+00  0.131572D+01 -0.122955D+01 -0.181466D+01
      3  -0.281701D+01  0.101663D+02  0.173102D+02 -0.417736D+01 -0.468347D+01
               206           207 
      1  -0.242133D+01  0.183212D+01
      2  -0.132521D+01  0.485133D+00
      3  -0.508206D+01  0.394144D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.661814D+00 -0.190189D+02  0.163516D+01  0.298687D+02  0.217876D+01
      2  -0.450377D+01  0.130216D+02  0.159604D+01 -0.291823D+02 -0.699703D+01
      3   0.384195D+01  0.599730D+01 -0.323120D+01 -0.686352D+00  0.481827D+01
      4  -0.187299D+02  0.112099D+02 -0.352571D+01  0.270551D+00 -0.163436D+02
      5   0.564389D+00 -0.395874D+01  0.952202D+01  0.395601D+01  0.747067D+01
      6  -0.119716D+01 -0.110342D+01  0.880717D+01  0.565461D+01  0.288620D+01
                 6             7             8             9            10 
      1   0.107479D+01 -0.831418D+01 -0.154077D+01  0.788678D+01 -0.630071D+01
      2  -0.160797D+01  0.907603D+01  0.366009D+01 -0.128303D+02  0.204636D+01
      3   0.533187D+00 -0.761852D+00 -0.211932D+01  0.494348D+01  0.425436D+01
      4   0.732230D+01  0.616907D+00  0.758494D+01  0.163402D+02  0.873334D+01
      5   0.143663D+02  0.284538D+02  0.174351D+02 -0.615969D+01 -0.632438D+01
      6   0.255523D+01  0.998452D+01  0.125362D+02  0.138475D+01  0.662217D+00
                11            12            13            14            15 
      1   0.526375D+01 -0.443913D+01 -0.159709D+02 -0.215847D+02  0.542694D+01
      2  -0.199334D+01  0.175109D+01  0.149028D+02  0.218399D+02 -0.681055D+01
      3  -0.327041D+01  0.268804D+01  0.106814D+01 -0.255198D+00  0.138362D+01
      4   0.228704D+02  0.446090D+00 -0.222303D+02  0.114565D+02 -0.434756D+01
      5   0.806748D-01  0.179360D+02  0.858923D+01 -0.587698D+01 -0.655517D+01
      6  -0.393737D+00 -0.371164D+01 -0.395649D+01 -0.270729D+01 -0.457591D+01
                16            17            18            19            20 
      1  -0.292387D+01  0.729403D+01  0.175141D+02  0.967102D+01  0.301020D+01
      2  -0.141751D+01 -0.551263D+01 -0.211244D+02 -0.617810D+01 -0.553036D+01
      3   0.434138D+01 -0.178140D+01  0.361033D+01 -0.349292D+01  0.252017D+01
      4   0.102559D+02 -0.168035D+01 -0.454531D+01  0.785159D+01 -0.229462D+02
      5   0.384166D+02 -0.684964D+01  0.685915D+01 -0.156094D+01  0.263984D+01
      6  -0.272554D+01  0.586140D+01  0.279463D+01  0.340668D+00 -0.161556D+01
                21            22            23            24            25 
      1   0.986053D+00  0.616025D+01  0.571259D+01 -0.401800D+01 -0.501180D+00
      2  -0.200839D+01  0.994969D+00 -0.116404D+02  0.525080D+01 -0.301544D+00
      3   0.102233D+01 -0.715521D+01  0.592779D+01 -0.123280D+01  0.802724D+00
      4   0.265114D+01  0.168312D+02  0.108305D+02  0.526215D+00 -0.297216D+01
      5  -0.550244D+01 -0.282294D+01  0.841879D+00  0.436878D+01  0.165520D+01
      6  -0.646843D+01 -0.145485D+01  0.796307D+01  0.642115D+01 -0.384765D+00
                26            27            28            29            30 
      1  -0.224497D+01 -0.147253D+02 -0.343878D+02  0.925057D+01 -0.347226D+00
      2   0.672766D+01  0.214602D+01  0.162513D+02 -0.204834D+01  0.348363D+00
      3  -0.448268D+01  0.125793D+02  0.181365D+02 -0.720222D+01 -0.113643D-02
      4  -0.120290D+01  0.998479D+01 -0.100691D+02  0.589521D+01 -0.305212D+01
      5   0.101198D+02 -0.584697D+01  0.589350D+01 -0.220726D+01 -0.239478D+01
      6   0.151028D+02 -0.374280D+01 -0.229015D+01  0.346941D+00 -0.165231D+01
                31            32            33            34            35 
      1   0.130869D+02  0.143377D+01 -0.191267D+01 -0.637556D+01 -0.165811D+01
      2  -0.543279D+01  0.383891D+01  0.362153D+00  0.328905D+01  0.348748D+01
      3  -0.765412D+01 -0.527269D+01  0.155052D+01  0.308651D+01 -0.182938D+01
      4  -0.501763D+01  0.453527D+01 -0.223754D+01  0.156540D+01 -0.406373D+01
      5   0.204392D-01 -0.932930D+00 -0.274676D+00  0.140078D+01  0.787059D+00
      6  -0.897020D+00 -0.320394D+00  0.120239D+00 -0.217572D+01  0.453736D+01
                36            37            38            39            40 
      1  -0.103455D+02 -0.127760D+02 -0.261398D+02  0.404619D+01 -0.194787D+02
      2  -0.186994D+01  0.132315D+02  0.180173D+02 -0.315503D+01  0.799662D+01
      3   0.122155D+02 -0.455499D+00  0.812251D+01 -0.891153D+00  0.114821D+02
      4  -0.163188D+01 -0.685774D+01  0.399839D-01 -0.241837D+00  0.127941D+01
      5  -0.668537D+00 -0.156682D+01 -0.220463D+01 -0.165870D+01 -0.621259D+00
      6  -0.674302D+00 -0.290458D+01 -0.223502D+01  0.181654D+01  0.925703D+00
                41            42            43            44            45 
      1  -0.144016D+02 -0.896777D+00  0.265068D+01 -0.271625D+01 -0.142978D+02
      2   0.147260D+02 -0.157926D+01 -0.359794D+01  0.261175D+01  0.313651D+01
      3  -0.324456D+00  0.247604D+01  0.947263D+00  0.104501D+00  0.111613D+02
      4  -0.860346D+01  0.150743D+00  0.101418D+01 -0.289093D+01 -0.752474D+00
      5  -0.905293D+00 -0.101994D+01  0.929778D+00 -0.266144D+01 -0.903928D+00
      6  -0.847918D+00  0.703721D+00  0.292749D+01  0.109886D+02 -0.909955D+00
                46            47            48            49            50 
      1   0.107867D+02  0.191436D+02  0.753007D-01 -0.218599D+02  0.147860D+02
      2  -0.107621D+02 -0.133332D+02  0.137545D+01  0.190534D+02 -0.227945D+02
      3  -0.246541D-01 -0.581044D+01 -0.145075D+01  0.280652D+01  0.800846D+01
      4   0.883357D+01 -0.161193D+02  0.355033D+01  0.111717D+02  0.142779D+01
      5  -0.387266D-01  0.504359D+01 -0.340995D+01 -0.548011D+00 -0.325351D+01
      6   0.386693D+01 -0.149773D+01  0.162105D+01 -0.316794D+01  0.755164D+01
                51            52            53            54            55 
      1  -0.241941D+01  0.412991D+01  0.139323D+01 -0.559883D+01  0.225103D+02
      2   0.478828D+01 -0.585226D+01  0.345210D+01 -0.428284D+01 -0.776112D+01
      3  -0.236887D+01  0.172234D+01 -0.484533D+01  0.988167D+01 -0.147492D+02
      4  -0.374226D+01  0.203749D+01 -0.690354D+01 -0.155742D+02 -0.307504D+01
      5  -0.104274D+02  0.103441D+02 -0.159743D+02  0.537872D+01 -0.313821D+01
      6   0.655437D+01 -0.537069D+01  0.138740D+02 -0.896674D+00  0.336436D+01
                56            57            58            59            60 
      1  -0.132959D+02  0.146784D+00 -0.174836D+02 -0.739757D+00  0.327312D+01
      2   0.115175D+02  0.369738D+00  0.160789D+02 -0.164145D+01 -0.671384D+01
      3   0.177838D+01 -0.516522D+00  0.140473D+01  0.238120D+01  0.344072D+01
      4  -0.788632D+01  0.225024D+01 -0.133186D+02  0.981306D+01  0.666447D+01
      5   0.238644D+01 -0.661988D+01  0.287306D+01  0.720280D+01  0.248934D+01
      6   0.217841D+01  0.426640D+01  0.347394D+01 -0.751825D+01 -0.421710D+01
                61            62            63            64            65 
      1   0.119240D+02  0.245567D+00  0.644616D+01 -0.499986D+02  0.960589D+01
      2   0.685158D+01 -0.117862D+02  0.561458D+01  0.280868D+02 -0.704014D+01
      3  -0.187756D+02  0.115406D+02 -0.120607D+02  0.219118D+02 -0.256575D+01
      4   0.943720D+00  0.890119D+01  0.785741D+01  0.104197D+02  0.612150D+01
      5  -0.113334D+02  0.631988D+01 -0.290240D+02 -0.133077D+02  0.865918D+00
      6   0.876842D+01 -0.341921D+01  0.156932D+02 -0.511033D+00 -0.172147D+01
                66            67            68            69            70 
      1  -0.922619D+01  0.200644D+02  0.109508D+02 -0.741526D+00 -0.139188D+02
      2   0.479423D+01 -0.146678D+02 -0.129754D+02  0.459801D+01  0.786862D+00
      3   0.443197D+01 -0.539664D+01  0.202453D+01 -0.385648D+01  0.131319D+02
      4   0.594692D+00 -0.151686D+01 -0.264813D+01 -0.655606D+01 -0.310356D+01
      5  -0.187248D+01 -0.521414D+01 -0.676817D+01  0.569360D+01 -0.121973D+02
      6   0.487570D+00 -0.330215D+01 -0.167036D+01 -0.509536D+01 -0.277168D+01
                71            72            73            74            75 
      1   0.519233D+00  0.245234D+00  0.251382D+02  0.916573D+01 -0.143413D+01
      2   0.573227D+00  0.153814D+02 -0.134561D+02 -0.463816D+01 -0.125181D+01
      3  -0.109246D+01 -0.156267D+02 -0.116822D+02 -0.452757D+01  0.268593D+01
      4  -0.198824D+01 -0.380606D+01  0.142948D+02  0.152348D+02  0.677317D+01
      5  -0.207649D+01  0.384052D+02  0.758328D+01  0.431205D+01  0.112552D+02
      6  -0.643791D+00  0.353194D+01  0.521140D+01  0.676099D+01 -0.525359D+01
                76            77            78            79            80 
      1  -0.797159D+01 -0.109875D+02 -0.111470D+01  0.102678D+02  0.424407D+00
      2   0.895717D+01  0.202481D+02 -0.519760D+00 -0.607782D+01  0.171922D+01
      3  -0.985587D+00 -0.926066D+01  0.163446D+01 -0.418994D+01 -0.214363D+01
      4   0.152950D+02  0.179871D+02  0.656141D+01  0.752496D+01  0.777132D+01
      5   0.526549D+01  0.531776D+01 -0.434894D+01  0.122257D+02  0.712344D+01
      6   0.118678D+01  0.571019D+01  0.115016D+02  0.671428D+01  0.134247D+02
                81            82            83            84            85 
      1  -0.872218D+01 -0.100594D+02 -0.753604D+01 -0.222104D+01  0.138705D+02
      2  -0.477805D+01  0.610608D+01  0.136123D+02  0.610589D+01 -0.936508D+01
      3   0.135002D+02  0.395328D+01 -0.607625D+01 -0.388485D+01 -0.450541D+01
      4   0.942540D+01 -0.996991D+00 -0.753818D+01 -0.378380D+01  0.665369D+00
      5   0.126848D+01 -0.218864D+00 -0.153336D+01 -0.791739D+01  0.289130D+01
      6   0.272220D+01 -0.174459D+01  0.452913D+01  0.432597D+01  0.726243D+01
                86            87            88            89            90 
      1   0.390459D+02  0.120103D+01 -0.174970D+02 -0.830136D+01  0.301304D+02
      2  -0.427524D+02 -0.899831D+01  0.124057D+02 -0.590628D+01 -0.188147D+02
      3   0.370646D+01  0.779727D+01  0.509133D+01  0.142076D+02 -0.113158D+02
      4   0.319119D+01  0.403720D+01  0.351890D+01  0.496798D+01 -0.858224D+01
      5   0.380682D+01 -0.244433D+01 -0.599084D+01 -0.974975D+01  0.949939D+01
      6  -0.653631D+01 -0.159897D+02 -0.117516D+02 -0.365526D+02  0.293791D+02
                91            92            93            94            95 
      1   0.401963D+02  0.210799D+02 -0.187306D+01  0.178959D+02  0.115113D+02
      2  -0.140908D+02 -0.389562D+01  0.923870D+00  0.897345D+00  0.792954D+01
      3  -0.261055D+02 -0.171843D+02  0.949186D+00 -0.187932D+02 -0.194408D+02
      4   0.436564D+02  0.336319D+02 -0.210895D+01  0.394651D+02  0.418154D+02
      5  -0.346959D+01 -0.190466D+01  0.742692D+01 -0.403586D+01 -0.369379D+01
      6  -0.424417D+00 -0.385526D+00  0.342209D+01 -0.182811D+01 -0.179750D+01
                96            97            98            99           100 
      1  -0.140206D+01 -0.174931D+00 -0.507617D+00  0.265534D+00  0.100442D+03
      2   0.491103D+00 -0.927209D+00 -0.739090D+00  0.612765D+00 -0.569766D+02
      3   0.910957D+00  0.110214D+01  0.124671D+01 -0.878299D+00 -0.434652D+02
      4  -0.367965D+01 -0.296834D+01 -0.386720D+01  0.229818D+01 -0.258285D+02
      5   0.572575D+01  0.166889D+01  0.816988D+00 -0.602458D+00  0.104852D+02
      6   0.500539D+01  0.850784D+00  0.153583D+01 -0.910946D+00  0.273191D+00
               101           102           103           104           105 
      1  -0.176693D+02  0.667879D+01 -0.172601D+02  0.123809D+02 -0.213453D+01
      2   0.897554D+01 -0.459763D+01  0.796371D+01 -0.543111D+01  0.160053D+01
      3   0.869372D+01 -0.208116D+01  0.929639D+01 -0.694980D+01  0.533997D+00
      4   0.140446D+02 -0.166290D+01  0.204374D+02 -0.963064D+01  0.179220D+01
      5  -0.186017D+01  0.114835D+02 -0.394084D+01  0.204183D+01 -0.282996D+01
      6   0.354509D+00 -0.138829D+01  0.104877D+01 -0.409308D+00  0.213615D+01
               106           107           108           109           110 
      1   0.842685D+01 -0.296891D+01  0.259609D+01 -0.414966D+01  0.485666D+01
      2  -0.471892D+01  0.182712D+01 -0.154181D+01  0.559827D+01 -0.459346D+01
      3  -0.370793D+01  0.114179D+01 -0.105428D+01 -0.144861D+01 -0.263206D+00
      4  -0.402461D+01  0.202076D+01 -0.146663D+01 -0.160388D+01  0.668649D+01
      5   0.280200D+01 -0.541077D+00  0.151838D+01 -0.624279D+00 -0.130189D+00
      6  -0.368385D+00  0.908753D+00 -0.569158D+00 -0.830962D+00  0.126513D+01
               111           112           113           114           115 
      1  -0.125945D+01  0.497584D+01 -0.341960D+02  0.583867D+01 -0.720907D+00
      2   0.593191D+00 -0.508053D+01  0.470477D+02 -0.548719D+01  0.557916D+00
      3   0.666261D+00  0.104690D+00 -0.128517D+02 -0.351472D+00  0.162991D+00
      4  -0.372301D+00  0.610827D+01  0.133899D+02 -0.266082D+01 -0.550986D+00
      5   0.969893D+00 -0.236751D+00 -0.334038D+01  0.193992D+01  0.762288D+00
      6  -0.672054D+00  0.361039D+00 -0.990795D+01  0.840203D+01 -0.879375D-01
               116           117           118           119           120 
      1   0.555296D+01 -0.251919D+01  0.323672D+01 -0.333565D+01  0.360945D+00
      2  -0.686318D+01  0.262451D+01  0.268780D+01 -0.360632D+01  0.936292D-02
      3   0.131022D+01 -0.105319D+00 -0.592452D+01  0.694197D+01 -0.370308D+00
      4  -0.173921D+01 -0.570560D+00 -0.133075D+02  0.180188D+02 -0.250970D+01
      5   0.444519D-01  0.403250D+00  0.210567D+01 -0.265822D+01  0.327807D+01
      6   0.405758D+01 -0.239825D+01 -0.148155D+01  0.189293D+01 -0.215778D+01
               121           122           123           124           125 
      1   0.896010D-01 -0.201621D+02  0.281062D+01  0.376281D-01  0.212202D+01
      2  -0.838546D+01  0.403180D+02 -0.347558D+01  0.122496D+01 -0.397837D+01
      3   0.829586D+01 -0.201558D+02  0.664953D+00 -0.126259D+01  0.185635D+01
      4   0.208844D+02 -0.454244D+02  0.563804D+01 -0.373916D+01  0.651623D+01
      5  -0.282820D+01  0.572890D+01 -0.525859D+01  0.153494D+01 -0.162000D+01
      6   0.280829D+01 -0.838417D+01  0.836853D+01 -0.163911D+01  0.417270D+01
               126           127           128           129           130 
      1  -0.219375D+01  0.296391D+01  0.120575D+01  0.253624D+01  0.281856D+01
      2   0.278025D+01 -0.636650D+01 -0.142784D+01 -0.400801D+01 -0.333682D+01
      3  -0.586492D+00  0.340259D+01  0.222092D+00  0.147177D+01  0.518267D+00
      4  -0.198425D+01 -0.250511D+01  0.620360D+01 -0.331156D+01  0.811987D+01
      5   0.102307D+01  0.878933D+01 -0.223406D+01  0.132141D+02 -0.185487D+01
      6  -0.239581D+01 -0.420506D+01  0.774177D+00 -0.310484D+01  0.178566D+01
               131           132           133           134           135 
      1  -0.438217D+01  0.146881D+01 -0.171010D+01  0.454151D+01 -0.153570D+02
      2   0.211683D+01 -0.108585D+01 -0.776481D+01 -0.536253D+00 -0.166198D+02
      3   0.226534D+01 -0.382964D+00  0.947491D+01 -0.400526D+01  0.319767D+02
      4  -0.641650D+01  0.351533D+01 -0.730260D+01  0.641458D+01 -0.609157D+01
      5   0.329203D+01 -0.276631D+01  0.178556D+02 -0.603827D+01  0.303765D+02
      6  -0.220036D+01  0.865642D+01 -0.776118D+01  0.749817D+01 -0.185353D+02
               136           137           138           139           140 
      1  -0.317426D+02  0.275675D+02 -0.146426D+01  0.239855D+02  0.781313D+01
      2   0.650904D+01 -0.254527D+02  0.563288D+01 -0.244849D+02 -0.123491D+02
      3   0.252336D+02 -0.211473D+01 -0.416862D+01  0.499341D+00  0.453596D+01
      4   0.395190D+02 -0.748703D+01  0.198282D+01  0.351244D+01 -0.118888D+02
      5  -0.315900D+00 -0.224298D+01  0.652996D+01 -0.179087D+01 -0.105614D+02
      6   0.493657D+01 -0.358666D+00 -0.766040D+01 -0.191645D+01  0.173559D+02
               141           142           143           144           145 
      1  -0.102325D+02 -0.318023D+01 -0.881450D+01  0.138872D+02  0.798008D+02
      2   0.158958D+02  0.338909D+00  0.190861D+02  0.328587D+01 -0.456898D+02
      3  -0.566326D+01  0.284132D+01 -0.102716D+02 -0.171731D+02 -0.341110D+02
      4  -0.669817D+01  0.596009D+01 -0.105880D+02 -0.747341D+01 -0.198005D+00
      5   0.413473D+00  0.632881D+01 -0.768462D+00  0.167009D+02  0.106102D+02
      6   0.283577D+01 -0.742166D+01  0.835463D+00 -0.234704D+02  0.808797D+00
               146           147           148           149           150 
      1  -0.437964D+01  0.910978D+01 -0.104321D+02  0.676144D+01 -0.416155D+00
      2   0.291751D+01 -0.524616D+01  0.624920D+01 -0.220906D+01  0.827239D+00
      3   0.146213D+01 -0.386362D+01  0.418292D+01 -0.455238D+01 -0.411084D+00
      4   0.983057D+01  0.375322D-01  0.118568D+02 -0.254014D+01  0.241316D+01
      5  -0.332157D+00  0.106462D+02 -0.810942D+00  0.274279D+01 -0.674915D+00
      6   0.397811D+00  0.290488D+00  0.593523D+00  0.240966D+00  0.156734D+01
               151           152           153           154           155 
      1   0.162170D+02 -0.996043D+00  0.812234D+01  0.793049D+01 -0.236704D+00
      2  -0.104214D+02  0.910400D+00 -0.750552D+01 -0.644755D+01  0.905276D-01
      3  -0.579558D+01  0.856427D-01 -0.616820D+00 -0.148294D+01  0.146177D+00
      4  -0.510044D+00  0.405108D+01  0.187516D+00  0.696183D+00 -0.865980D+00
      5   0.139943D+02 -0.392233D+00  0.438230D+01 -0.555654D+01 -0.194225D+00
      6   0.472386D+00  0.972982D+00 -0.959512D-01 -0.878879D+00 -0.531499D-01
               156           157           158           159           160 
      1  -0.479266D+01 -0.983692D-01 -0.342092D+01  0.178727D+01 -0.867911D+01
      2   0.278274D+01  0.388059D+00  0.741714D+00 -0.691473D+00  0.119850D+02
      3   0.200992D+01 -0.289690D+00  0.267920D+01 -0.109580D+01 -0.330591D+01
      4  -0.102387D+01  0.305045D+01  0.108390D+01 -0.495939D+01 -0.129078D+01
      5   0.372242D+01 -0.211851D-01 -0.478576D+01  0.149847D+01  0.189981D+02
      6   0.393313D-01 -0.168267D+01 -0.152535D+01  0.782117D+01  0.225506D+01
               161           162           163           164           165 
      1   0.700256D+00 -0.453017D+01 -0.118846D+01  0.964213D+01  0.352657D+01
      2  -0.951659D+00 -0.209372D+02  0.377567D+01 -0.138005D+02 -0.334448D+01
      3   0.251402D+00  0.254674D+02 -0.258720D+01  0.415841D+01 -0.182082D+00
      4  -0.834861D+01  0.278316D+01 -0.268883D+01  0.915631D+01  0.320022D+01
      5   0.112864D+01 -0.389332D+02 -0.154670D+00  0.131105D+01  0.256534D+01
      6   0.454814D+01 -0.608590D+01  0.402265D+01 -0.421337D+01 -0.194156D+01
               166           167           168           169           170 
      1  -0.929801D+00 -0.400028D+02 -0.968468D+01  0.224844D+01 -0.168061D+02
      2   0.910487D+00  0.585430D+02  0.142621D+02 -0.836486D+00  0.231440D+02
      3   0.193142D-01 -0.185402D+02 -0.457739D+01 -0.141195D+01 -0.633797D+01
      4   0.663678D+01  0.197340D+01 -0.296584D+00  0.397404D+01  0.373370D+00
      5   0.676154D+00  0.101736D+01  0.137617D+01  0.247999D+01  0.228942D+01
      6  -0.369450D+00  0.178587D+02  0.127673D+02  0.204239D+01  0.197020D+02
               171           172           173           174           175 
      1  -0.128326D+02  0.133519D+00  0.724198D-01  0.592872D+00 -0.328474D+01
      2   0.121281D+02 -0.173883D+01 -0.604925D+00  0.657634D+00  0.395513D+01
      3   0.704487D+00  0.160531D+01  0.532505D+00 -0.125051D+01 -0.670387D+00
      4   0.805997D+00  0.510229D+01  0.714971D+01 -0.569347D+01  0.408674D+01
      5  -0.157243D+00 -0.419040D+01 -0.382030D+01  0.870712D+01 -0.204212D+01
      6   0.962112D+01 -0.697365D+01 -0.363834D+01  0.490082D+01 -0.373035D+01
               176           177           178           179           180 
      1  -0.196868D+02  0.917641D+01  0.487843D+01  0.234210D+02 -0.284235D+02
      2   0.210490D+02 -0.830561D+01 -0.268754D+01 -0.158078D+02  0.874363D+01
      3  -0.136219D+01 -0.870802D+00 -0.219088D+01 -0.761325D+01  0.196799D+02
      4   0.604343D+01 -0.417618D+01 -0.964391D+01 -0.798031D+01  0.778350D+01
      5  -0.425924D+01  0.323413D+01  0.803871D+01  0.930526D+01 -0.121355D+02
      6  -0.144674D+02  0.145962D+02  0.903917D+01  0.316649D+02 -0.386902D+02
               181           182           183           184           185 
      1   0.107861D+01 -0.506938D+01 -0.530516D+01 -0.157897D+01 -0.412272D+01
      2  -0.157830D+01  0.517511D+01  0.156903D+00  0.127391D+01  0.307975D+01
      3   0.499693D+00 -0.105728D+00  0.514825D+01  0.305059D+00  0.104297D+01
      4  -0.170469D+01  0.569909D+00  0.278105D+01  0.116542D+00  0.130090D+01
      5  -0.999200D+00  0.406755D+00  0.343012D+00 -0.454638D+00 -0.646878D+00
      6   0.241907D+01  0.217088D+01  0.577623D+01  0.293218D+00  0.188048D+01
               186           187           188           189           190 
      1  -0.129314D+01 -0.423093D+01 -0.708182D+01 -0.196138D+02  0.515594D+02
      2   0.285752D+01  0.115429D+01  0.653637D+01 -0.784911D+01 -0.164217D+02
      3  -0.156438D+01  0.307665D+01  0.545455D+00  0.274629D+02 -0.351377D+02
      4  -0.105598D+01  0.749612D+01 -0.652565D+01 -0.860435D-01 -0.555178D+02
      5   0.683504D+00  0.576773D+01 -0.471552D+01 -0.215810D+02 -0.511302D+01
      6   0.449970D+01 -0.737172D+00  0.116066D+02  0.329636D+02  0.395977D+00
               191           192           193           194           195 
      1  -0.118096D+02  0.166216D+01 -0.572312D+01  0.275552D+01  0.769219D+00
      2  -0.404897D+01 -0.456620D+00 -0.291213D+01  0.586137D+01 -0.161145D+01
      3   0.158586D+02 -0.120554D+01  0.863525D+01 -0.861690D+01  0.842230D+00
      4   0.309774D+02 -0.332973D-01  0.175347D+02 -0.125156D+02  0.863852D+00
      5   0.224679D+01  0.945923D+01  0.949162D+00  0.529307D+00 -0.166760D+01
      6  -0.208202D+01 -0.682410D+01 -0.818582D+00 -0.691441D+00  0.217025D+01
               196           197           198           199           200 
      1   0.341653D+01  0.101421D+01  0.274892D+01 -0.187116D+01 -0.147130D+02
      2  -0.129777D+01 -0.319588D+01 -0.232813D+01  0.586072D+01  0.203564D+02
      3  -0.211876D+01  0.218166D+01 -0.420789D+00 -0.398956D+01 -0.564349D+01
      4  -0.419721D+01  0.329719D+01 -0.484007D+01  0.147143D+01  0.100935D+01
      5   0.874991D+01 -0.356547D+01 -0.361777D-01  0.128284D+01  0.129952D+01
      6  -0.501105D+01  0.356292D+01  0.991233D+00 -0.285980D+01 -0.137291D+01
               201           202           203           204           205 
      1   0.198556D+01 -0.907429D+01 -0.321814D+02  0.656482D+01  0.353954D+01
      2  -0.351930D+01  0.988642D+01  0.525270D+02 -0.102977D+02 -0.225912D+01
      3   0.153374D+01 -0.812133D+00 -0.203456D+02  0.373291D+01 -0.128042D+01
      4  -0.163611D+01  0.748717D+01 -0.113417D+02  0.166035D+01 -0.460434D+01
      5  -0.169650D+01  0.200179D+01  0.503213D+01 -0.352155D+01 -0.159094D+00
      6   0.508134D+01 -0.153483D+01 -0.715142D+01  0.918255D+01  0.264728D+01
               206           207 
      1   0.953350D+01 -0.800775D+01
      2  -0.153327D+02  0.670339D+01
      3   0.579918D+01  0.130436D+01
      4   0.588003D+01 -0.614006D-01
      5  -0.292211D+01  0.968301D+00
      6   0.903183D+01 -0.439462D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 21:09:12 2021, MaxMem=  5637144576 cpu:           50195.6 elap:            6324.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90784 -10.06536 -10.06034 -10.03193 -10.03063
 Alpha  occ. eigenvalues --  -10.02931 -10.02278 -10.02228 -10.02166 -10.02124
 Alpha  occ. eigenvalues --  -10.01404  -1.10513  -0.93898  -0.88342  -0.84634
 Alpha  occ. eigenvalues --   -0.81543  -0.77990  -0.72861  -0.70772  -0.67388
 Alpha  occ. eigenvalues --   -0.63763  -0.60273  -0.58249  -0.55912  -0.55043
 Alpha  occ. eigenvalues --   -0.52352  -0.51934  -0.50166  -0.49963  -0.47502
 Alpha  occ. eigenvalues --   -0.46443  -0.45408  -0.45130  -0.43814  -0.42733
 Alpha  occ. eigenvalues --   -0.40225  -0.38732  -0.33969  -0.32674  -0.32438
 Alpha virt. eigenvalues --    0.02873   0.03361   0.03729   0.03964   0.04882
 Alpha virt. eigenvalues --    0.04984   0.05083   0.05333   0.06424   0.06555
 Alpha virt. eigenvalues --    0.07174   0.07396   0.07885   0.09580   0.10627
 Alpha virt. eigenvalues --    0.11171   0.12026   0.12582   0.12946   0.13074
 Alpha virt. eigenvalues --    0.13354   0.13673   0.14121   0.14193   0.14691
 Alpha virt. eigenvalues --    0.15287   0.15727   0.15827   0.16163   0.16503
 Alpha virt. eigenvalues --    0.16894   0.17049   0.17696   0.18132   0.18491
 Alpha virt. eigenvalues --    0.19015   0.19270   0.19619   0.20129   0.20491
 Alpha virt. eigenvalues --    0.21236   0.21967   0.22311   0.22805   0.23711
 Alpha virt. eigenvalues --    0.24480   0.24697   0.24990   0.25936   0.26298
 Alpha virt. eigenvalues --    0.26824   0.27514   0.27701   0.28088   0.28220
 Alpha virt. eigenvalues --    0.29088   0.29468   0.30053   0.30856   0.31262
 Alpha virt. eigenvalues --    0.31778   0.31813   0.32691   0.32993   0.33632
 Alpha virt. eigenvalues --    0.33743   0.34498   0.34678   0.35576   0.35923
 Alpha virt. eigenvalues --    0.36507   0.37028   0.37904   0.38146   0.38628
 Alpha virt. eigenvalues --    0.39244   0.39770   0.40349   0.40710   0.42055
 Alpha virt. eigenvalues --    0.42449   0.42802   0.43356   0.44283   0.44635
 Alpha virt. eigenvalues --    0.45202   0.46031   0.46326   0.47644   0.48174
 Alpha virt. eigenvalues --    0.48909   0.48953   0.49724   0.50021   0.51044
 Alpha virt. eigenvalues --    0.51565   0.51806   0.53052   0.53397   0.54250
 Alpha virt. eigenvalues --    0.54577   0.55664   0.56202   0.57112   0.57428
 Alpha virt. eigenvalues --    0.58079   0.58788   0.58997   0.60132   0.60800
 Alpha virt. eigenvalues --    0.61257   0.61495   0.62032   0.62309   0.63011
 Alpha virt. eigenvalues --    0.63547   0.64066   0.64327   0.64861   0.65715
 Alpha virt. eigenvalues --    0.66278   0.66591   0.67873   0.68316   0.69217
 Alpha virt. eigenvalues --    0.69274   0.70321   0.70444   0.70801   0.71286
 Alpha virt. eigenvalues --    0.71859   0.72374   0.72854   0.73496   0.73937
 Alpha virt. eigenvalues --    0.75543   0.75958   0.76288   0.77157   0.77407
 Alpha virt. eigenvalues --    0.78525   0.79839   0.80409   0.81264   0.81930
 Alpha virt. eigenvalues --    0.82536   0.83343   0.83580   0.83904   0.84289
 Alpha virt. eigenvalues --    0.85199   0.85561   0.86236   0.86465   0.86865
 Alpha virt. eigenvalues --    0.88015   0.88266   0.90009   0.90978   0.91876
 Alpha virt. eigenvalues --    0.92993   0.94536   0.95116   0.96451   0.97102
 Alpha virt. eigenvalues --    0.97943   0.99830   1.00659   1.01626   1.02876
 Alpha virt. eigenvalues --    1.04537   1.05238   1.05659   1.07117   1.08220
 Alpha virt. eigenvalues --    1.09539   1.10559   1.14273   1.14897   1.15971
 Alpha virt. eigenvalues --    1.17350   1.18683   1.20099   1.21052   1.22359
 Alpha virt. eigenvalues --    1.22806   1.24455   1.27456   1.30050   1.31794
 Alpha virt. eigenvalues --    1.35268   1.36428   1.37166   1.38010   1.39401
 Alpha virt. eigenvalues --    1.41553   1.43533   1.44633   1.45325   1.45886
 Alpha virt. eigenvalues --    1.47400   1.47955   1.49081   1.50960   1.51932
 Alpha virt. eigenvalues --    1.52272   1.53586   1.54200   1.55923   1.58211
 Alpha virt. eigenvalues --    1.58686   1.59601   1.60192   1.61593   1.61837
 Alpha virt. eigenvalues --    1.63144   1.65720   1.66404   1.67340   1.67763
 Alpha virt. eigenvalues --    1.69224   1.70043   1.71189   1.71789   1.72660
 Alpha virt. eigenvalues --    1.74008   1.76047   1.76360   1.77143   1.78093
 Alpha virt. eigenvalues --    1.78783   1.80129   1.80500   1.82741   1.83230
 Alpha virt. eigenvalues --    1.84319   1.85836   1.86371   1.87321   1.88333
 Alpha virt. eigenvalues --    1.88982   1.90399   1.91999   1.92816   1.93920
 Alpha virt. eigenvalues --    1.95403   1.96528   1.98540   1.99775   2.00415
 Alpha virt. eigenvalues --    2.01844   2.04315   2.05030   2.05717   2.06927
 Alpha virt. eigenvalues --    2.07920   2.09361   2.09843   2.10972   2.12106
 Alpha virt. eigenvalues --    2.12718   2.14804   2.15144   2.16701   2.18604
 Alpha virt. eigenvalues --    2.19807   2.20895   2.21966   2.23331   2.24911
 Alpha virt. eigenvalues --    2.25823   2.29139   2.31059   2.32060   2.34217
 Alpha virt. eigenvalues --    2.35774   2.37442   2.38985   2.41171   2.43052
 Alpha virt. eigenvalues --    2.44669   2.46969   2.48920   2.52299   2.53952
 Alpha virt. eigenvalues --    2.55829   2.58271   2.59154   2.59441   2.61806
 Alpha virt. eigenvalues --    2.63756   2.66175   2.66342   2.67784   2.71887
 Alpha virt. eigenvalues --    2.72178   2.74051   2.77780   2.80469   2.85246
 Alpha virt. eigenvalues --    2.88193   2.90107   2.92521   2.93347   2.96526
 Alpha virt. eigenvalues --    3.06651   3.09999   3.14931   3.19034   3.21880
 Alpha virt. eigenvalues --    3.28093   3.50349   3.51307   3.56232   3.60972
 Alpha virt. eigenvalues --    3.66432   3.78468   3.82837   3.91824   3.96157
 Alpha virt. eigenvalues --    4.60221
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.965938  -5.986566  -7.810723   3.227290  -6.120649   6.474393
     2  C   -5.986566  14.902018   6.710227  -6.506006   3.910427  -6.767287
     3  C   -7.810723   6.710227  36.709742 -16.067272   3.127388  -9.764741
     4  C    3.227290  -6.506006 -16.067272  38.601188 -16.459026   2.066779
     5  C   -6.120649   3.910427   3.127388 -16.459026  35.620395 -11.342992
     6  C    6.474393  -6.767287  -9.764741   2.066779 -11.342992  29.442050
     7  C   -0.388384  -0.013557  -5.199746   0.395890  -4.861884  -0.353956
     8  C    0.015613  -0.052204  -0.461796  -0.742384   0.114260   0.073088
     9  O    0.007117  -0.019793  -0.025233  -0.195725   0.126369  -0.076710
    10  C    0.056019  -0.058785   0.829451  -1.218998   0.711367  -2.574924
    11  H   -1.682436   0.858592   0.819563  -0.192443  -0.033426  -0.273995
    12  H    0.868260  -1.585674  -0.237339  -0.063889  -0.246917   0.776514
    13  H    0.900237  -0.446298  -3.057430   1.714069  -0.688712   0.345082
    14  H   -0.493438   0.889626   0.342529  -0.405752   1.393601  -2.478361
    15  H   -0.107987   0.049860   0.380184   0.441259   0.445874  -0.023681
    16  C    0.136743  -0.055489  -0.653035  -0.269430  -0.116975   0.074349
    17  H    0.012898  -0.006778   0.000453   0.252599  -0.043454  -0.043387
    18  H   -0.021453   0.012992  -0.044713   0.051275  -0.182319   0.129478
    19  H    0.012303   0.014672  -0.085579   0.160204  -0.063270   0.170619
    20  H    0.007142  -0.021510   0.020017  -0.029355   0.124527  -0.096088
    21  H    0.004045   0.008144   0.089140  -0.215132   0.087694  -0.017717
    22  H    0.009450  -0.000819  -0.034273   0.376495  -0.078387   0.000345
    23  H    0.050077  -0.011781  -0.113711  -0.269383  -0.047844   0.002180
               7          8          9         10         11         12
     1  C   -0.388384   0.015613   0.007117   0.056019  -1.682436   0.868260
     2  C   -0.013557  -0.052204  -0.019793  -0.058785   0.858592  -1.585674
     3  C   -5.199746  -0.461796  -0.025233   0.829451   0.819563  -0.237339
     4  C    0.395890  -0.742384  -0.195725  -1.218998  -0.192443  -0.063889
     5  C   -4.861884   0.114260   0.126369   0.711367  -0.033426  -0.246917
     6  C   -0.353956   0.073088  -0.076710  -2.574924  -0.273995   0.776514
     7  C   17.541652   0.130913   0.290059  -1.088134   0.053559  -0.034469
     8  C    0.130913   6.115348   0.170774  -0.440550   0.001801   0.001979
     9  O    0.290059   0.170774   8.795906  -0.124104  -0.000004   0.000409
    10  C   -1.088134  -0.440550  -0.124104   9.212511  -0.026706   0.056298
    11  H    0.053559   0.001801  -0.000004  -0.026706   2.594006  -0.152165
    12  H   -0.034469   0.001979   0.000409   0.056298  -0.152165   2.530087
    13  H   -0.233714   0.103994   0.003012  -0.019282  -0.218979  -0.028863
    14  H    0.012026   0.030712   0.000306  -0.084451  -0.030835  -0.194572
    15  H   -1.241014  -0.129544   0.001273   0.122296  -0.002676   0.001044
    16  C    0.627577   0.085163  -0.048499  -0.263445   0.017151  -0.001875
    17  H   -0.028735  -0.180674  -0.227663  -0.067315   0.000314  -0.000156
    18  H   -0.161689   0.177492  -0.077476   0.251351   0.001136   0.000016
    19  H    0.046933  -0.017704  -0.124442  -0.320618   0.000413  -0.000005
    20  H    0.039206  -0.018100  -0.013842   0.319656  -0.001274   0.002230
    21  H   -0.020713  -0.168503  -0.002484  -0.001292   0.001144   0.000057
    22  H   -0.370822   0.093383   0.004821   0.005785   0.001145   0.000050
    23  H    0.715885  -0.109718  -0.006199   0.000049  -0.000527  -0.000974
              13         14         15         16         17         18
     1  C    0.900237  -0.493438  -0.107987   0.136743   0.012898  -0.021453
     2  C   -0.446298   0.889626   0.049860  -0.055489  -0.006778   0.012992
     3  C   -3.057430   0.342529   0.380184  -0.653035   0.000453  -0.044713
     4  C    1.714069  -0.405752   0.441259  -0.269430   0.252599   0.051275
     5  C   -0.688712   1.393601   0.445874  -0.116975  -0.043454  -0.182319
     6  C    0.345082  -2.478361  -0.023681   0.074349  -0.043387   0.129478
     7  C   -0.233714   0.012026  -1.241014   0.627577  -0.028735  -0.161689
     8  C    0.103994   0.030712  -0.129544   0.085163  -0.180674   0.177492
     9  O    0.003012   0.000306   0.001273  -0.048499  -0.227663  -0.077476
    10  C   -0.019282  -0.084451   0.122296  -0.263445  -0.067315   0.251351
    11  H   -0.218979  -0.030835  -0.002676   0.017151   0.000314   0.001136
    12  H   -0.028863  -0.194572   0.001044  -0.001875  -0.000156   0.000016
    13  H    3.584065   0.024499   0.010071   0.135083   0.001220   0.006484
    14  H    0.024499   2.957174  -0.003643   0.004376   0.000778   0.000637
    15  H    0.010071  -0.003643   1.835368  -0.337278  -0.209669   0.110730
    16  C    0.135083   0.004376  -0.337278   5.151008   0.201338  -0.239756
    17  H    0.001220   0.000778  -0.209669   0.201338   2.241874  -0.478412
    18  H    0.006484   0.000637   0.110730  -0.239756  -0.478412   1.763250
    19  H   -0.007033  -0.032221   0.009441   0.021002   0.003490   0.010213
    20  H   -0.001985  -0.000728   0.001654  -0.020337   0.000408  -0.010722
    21  H   -0.042969  -0.000662   0.078768   0.340648  -0.012601  -0.017431
    22  H    0.023439   0.000558  -0.011367   0.167706  -0.008724   0.009478
    23  H   -0.106862  -0.000732  -0.142925   0.179022   0.029002  -0.023064
              19         20         21         22         23
     1  C    0.012303   0.007142   0.004045   0.009450   0.050077
     2  C    0.014672  -0.021510   0.008144  -0.000819  -0.011781
     3  C   -0.085579   0.020017   0.089140  -0.034273  -0.113711
     4  C    0.160204  -0.029355  -0.215132   0.376495  -0.269383
     5  C   -0.063270   0.124527   0.087694  -0.078387  -0.047844
     6  C    0.170619  -0.096088  -0.017717   0.000345   0.002180
     7  C    0.046933   0.039206  -0.020713  -0.370822   0.715885
     8  C   -0.017704  -0.018100  -0.168503   0.093383  -0.109718
     9  O   -0.124442  -0.013842  -0.002484   0.004821  -0.006199
    10  C   -0.320618   0.319656  -0.001292   0.005785   0.000049
    11  H    0.000413  -0.001274   0.001144   0.001145  -0.000527
    12  H   -0.000005   0.002230   0.000057   0.000050  -0.000974
    13  H   -0.007033  -0.001985  -0.042969   0.023439  -0.106862
    14  H   -0.032221  -0.000728  -0.000662   0.000558  -0.000732
    15  H    0.009441   0.001654   0.078768  -0.011367  -0.142925
    16  C    0.021002  -0.020337   0.340648   0.167706   0.179022
    17  H    0.003490   0.000408  -0.012601  -0.008724   0.029002
    18  H    0.010213  -0.010722  -0.017431   0.009478  -0.023064
    19  H    1.807475  -0.356655   0.001469   0.000506   0.002113
    20  H   -0.356655   1.077579   0.002083  -0.002244   0.000712
    21  H    0.001469   0.002083   1.739315  -0.382535  -0.268287
    22  H    0.000506  -0.002244  -0.382535   1.855903  -0.450328
    23  H    0.002113   0.000712  -0.268287  -0.450328   1.827892
 Mulliken charges:
               1
     1  C   -0.135888
     2  C    0.175989
     3  C    0.526899
     4  C    1.347748
     5  C    0.623954
     6  C    0.258961
     7  C    0.143115
     8  C    1.206657
     9  O   -0.457872
    10  C    0.723822
    11  H   -0.733357
    12  H   -0.690042
    13  H   -0.999127
    14  H   -0.931428
    15  H   -0.278038
    16  C    0.864954
    17  H   -0.436804
    18  H   -0.267496
    19  H   -0.253325
    20  H   -0.022375
    21  H   -0.202181
    22  H   -0.209566
    23  H   -0.254599
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.869246
     2  C   -0.514054
     3  C   -0.472228
     4  C    1.347748
     5  C    0.623954
     6  C   -0.672467
     7  C   -0.134922
     8  C    0.502357
     9  O   -0.457872
    10  C    0.448122
    16  C    0.198607
 Electronic spatial extent (au):  <R**2>=           1675.5988
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.3110    Y=              0.8487    Z=              0.7053  Tot=              1.1465
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.7289   YY=            -62.8677   ZZ=            -69.5501
   XY=             -4.0589   XZ=             -1.0757   YZ=             -2.5760
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.6533   YY=              2.5145   ZZ=             -4.1679
   XY=             -4.0589   XZ=             -1.0757   YZ=             -2.5760
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.5681  YYY=             -6.6237  ZZZ=             -0.5964  XYY=              8.9254
  XXY=              8.0245  XXZ=              2.4588  XZZ=             -9.4821  YZZ=             -2.3262
  YYZ=             -0.5340  XYZ=              1.9463
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1264.9680 YYYY=           -796.6278 ZZZZ=           -133.1843 XXXY=             -9.2605
 XXXZ=             10.2023 YYYX=              1.1501 YYYZ=             -6.2462 ZZZX=              1.4643
 ZZZY=              1.2081 XXYY=           -368.9402 XXZZ=           -267.1522 YYZZ=           -165.2158
 XXYZ=            -10.9733 YYXZ=             -3.3547 ZZXY=              1.2891
 N-N= 6.057646973284D+02 E-N=-2.287419741603D+03  KE= 4.599795581649D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 21:09:14 2021, MaxMem=  5637144576 cpu:               7.9 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.45743460D-01 3.25034285D-01 2.64045368D-01
 Polarizability= 1.40762099D+02-3.06458608D+00 1.25808478D+02
                 7.49566707D-01-4.70672392D+00 7.75810690D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.3670   -0.3675       -1.2522   -1.2524
 2      0.3670    0.3675        2.3442    2.3442       -8.4608   -8.4596
 3      1.2522    1.2524       33.3721   33.3698       -2.3455   -2.3442
 4     -2.3442   -2.3442        0.0000    0.0000        1.2525    1.2524
 5    -24.9113  -24.9102       -1.2525   -1.2524       -0.3672   -0.3675
 6      2.3455    2.3442        0.3672    0.3675        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1026    1.1026       -3.7571   -3.7571
 2     -7.0325   -7.0325       -0.0000    0.0000       -3.7571   -3.7571
 3     -7.0325   -7.0325        1.1026    1.1026        0.0000    0.0000
 4      1.1026    1.1026        7.0325    7.0325      -25.3788  -25.3788
 5      3.7572    3.7571      100.1093  100.1093       -7.0325   -7.0325
 6    -74.7305  -74.7305       -3.7571   -3.7571       -1.1026   -1.1026
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0007    0.0000        1.4722    1.4701        5.0259    5.0095
 2     -1.4574   -1.4701       -9.3561   -9.3767       33.8412   33.8384
 3     -4.9932   -5.0095     -133.4766 -133.4791        9.4085    9.3767
 4      9.3837    9.3767        0.0025    0.0000       -4.9901   -5.0095
 5     99.6190   99.6407        5.0186    5.0095        1.4695    1.4701
 6     -9.3941   -9.3767       -1.4816   -1.4701       -0.0242    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0081    0.0000       -4.1823   -4.1656       -5.9717   -6.0195
 2      4.2116    4.1656      -49.3138  -49.2674       34.8045   34.7803
 3      6.0427    6.0195        9.0177    9.1292       49.2419   49.2674
 4     49.2497   49.2674        0.0505    0.0000        6.0236    6.0195
 5    -43.8450  -43.9095       -6.0026   -6.0195       -4.3245   -4.1656
 6    -49.2064  -49.2674        4.1279    4.1656        0.0247    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -10.5374  -10.5268      -37.7023  -37.7126        4.0842    4.0838
 2     72.6872   72.7477      -34.1892  -34.2331        3.9604    4.0838
 3     72.6908   72.7477      -37.6766  -37.7126        7.1414    7.2462
 4     -3.3914   -3.4795      -83.2389  -83.2745       25.9228   25.7904
 5      3.2151    3.1624       28.3392   28.3838       83.2133   83.2745
 6    -54.1893  -54.1743       -3.1820   -3.1624        3.3764    3.4795
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4970   -2.6877    0.0003    0.0004    0.0006    3.9771
 Low frequencies ---   70.1151  123.7402  200.9643
 Diagonal vibrational polarizability:
        5.0317686       3.6155170       7.9829815
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     70.1145               123.7388               200.9643
 Red. masses --      2.8599                 2.8179                 2.1808
 Frc consts  --      0.0083                 0.0254                 0.0519
 IR Inten    --      0.3599                 0.2363                 1.1164
 RamAct Fr= 1--      2.1248                 2.6874                 1.7704
  Dep-P Fr= 1--      0.7495                 0.7297                 0.6855
  Dep-U Fr= 1--      0.8568                 0.8437                 0.8134
 Alpha2 Fr= 1--      0.0000                 0.0009                 0.0020
 Beta2  Fr= 1--      0.3034                 0.3779                 0.2400
 AlphaG Fr= 1--     -0.0003                -0.0023                 0.0037
 Gamma2 Fr= 1--      1.0808                 0.2949                 0.2259
 Delta2 Fr= 1--      0.1663                 0.1179                 0.2347
 Raman1 Fr= 1--       8.499                 10.750                  7.082
 ROA1   Fr= 1--     109.076                 32.083                 29.191
 CID1   Fr= 1--      12.834                  2.985                  4.122
 Raman2 Fr= 1--       3.641                  4.535                  2.880
 ROA2   Fr= 1--      24.608                  6.134                  3.543
 CID2   Fr= 1--       6.759                  1.353                  1.230
 Raman3 Fr= 1--       7.282                  9.070                  5.760
 ROA3   Fr= 1--     109.076                 32.083                 29.191
 CID3   Fr= 1--      14.979                  3.537                  5.068
 RC180  Fr= 1--       0.714                  0.687                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.13    -0.02   0.01  -0.03    -0.03   0.04   0.13
     2   6    -0.00   0.00   0.00    -0.03   0.04   0.18    -0.01   0.03   0.03
     3   6     0.01  -0.02  -0.13    -0.01  -0.02  -0.17    -0.02   0.01   0.00
     4   6    -0.00   0.00  -0.00    -0.01  -0.02  -0.13    -0.00  -0.02  -0.11
     5   6    -0.01   0.02   0.09    -0.01  -0.00  -0.05     0.00  -0.02  -0.11
     6   6    -0.01   0.02   0.10    -0.02   0.03   0.14     0.01  -0.00  -0.11
     7   6     0.01   0.03   0.01    -0.02  -0.00  -0.01     0.00  -0.01  -0.07
     8   6    -0.05  -0.01  -0.17     0.04  -0.00   0.11    -0.03   0.02  -0.07
     9   8     0.06   0.00  -0.11    -0.04   0.02   0.00    -0.02  -0.04   0.07
    10   6    -0.02   0.04   0.12     0.01  -0.04  -0.16    -0.02   0.02   0.10
    11   1     0.01  -0.03  -0.23    -0.03   0.01  -0.04    -0.04   0.07   0.28
    12   1    -0.00   0.01   0.01    -0.04   0.07   0.34    -0.01   0.05   0.09
    13   1     0.01  -0.03  -0.23    -0.02  -0.03  -0.28    -0.04   0.01   0.05
    14   1    -0.01   0.03   0.18    -0.02   0.05   0.27     0.02  -0.00  -0.13
    15   1     0.04   0.20   0.02    -0.16   0.01   0.02    -0.04   0.06  -0.06
    16   6     0.02  -0.07   0.21     0.10  -0.01   0.08     0.11  -0.04   0.05
    17   1     0.00  -0.01  -0.33    -0.01   0.01   0.27    -0.01   0.01  -0.15
    18   1    -0.22  -0.03  -0.17     0.22  -0.03   0.10    -0.11   0.10  -0.06
    19   1     0.04  -0.04   0.27    -0.00   0.08  -0.34    -0.06  -0.10   0.27
    20   1    -0.18   0.18   0.14     0.10  -0.24  -0.21     0.01   0.24   0.17
    21   1    -0.03  -0.27   0.21     0.29  -0.03   0.03     0.52  -0.01  -0.04
    22   1     0.03  -0.02   0.20     0.08  -0.01   0.27     0.06  -0.15   0.45
    23   1     0.07  -0.02   0.38     0.03  -0.01  -0.00    -0.13   0.02  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    231.5161               281.2887               317.3786
 Red. masses --      1.3700                 2.6069                 2.5440
 Frc consts  --      0.0433                 0.1215                 0.1510
 IR Inten    --      0.3468                 0.0741                 8.4091
 RamAct Fr= 1--      0.7327                 0.3324                 0.4103
  Dep-P Fr= 1--      0.7459                 0.2749                 0.4024
  Dep-U Fr= 1--      0.8545                 0.4312                 0.5739
 Alpha2 Fr= 1--      0.0001                 0.0037                 0.0030
 Beta2  Fr= 1--      0.1044                 0.0239                 0.0392
 AlphaG Fr= 1--      0.0005                -0.0023                 0.0100
 Gamma2 Fr= 1--     -0.0756                -0.2819                -0.2245
 Delta2 Fr= 1--      0.0078                 0.0174                -0.0742
 Raman1 Fr= 1--       2.931                  1.330                  1.641
 ROA1   Fr= 1--      -7.009                -26.509                -23.921
 CID1   Fr= 1--      -2.391                -19.936                -14.577
 Raman2 Fr= 1--       1.252                  0.287                  0.471
 ROA2   Fr= 1--      -1.877                 -6.905                 -4.794
 CID2   Fr= 1--      -1.499                -24.086                -10.180
 Raman3 Fr= 1--       2.504                  0.573                  0.942
 ROA3   Fr= 1--      -7.009                -26.509                -23.921
 CID3   Fr= 1--      -2.799                -46.232                -25.401
 RC180  Fr= 1--       0.709                 -0.138                  0.148
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.05    -0.10   0.08  -0.01     0.03   0.02  -0.06
     2   6    -0.00  -0.00  -0.04    -0.03   0.09  -0.05     0.02   0.01  -0.05
     3   6    -0.02  -0.00   0.04    -0.12  -0.02   0.05     0.02   0.03   0.08
     4   6    -0.01  -0.01   0.07    -0.04  -0.09   0.06     0.02   0.02   0.05
     5   6    -0.00  -0.01   0.07     0.00  -0.07   0.06    -0.00   0.02   0.04
     6   6    -0.00  -0.00   0.05     0.04   0.02   0.01     0.00   0.03   0.08
     7   6    -0.00  -0.01   0.03     0.00  -0.04   0.03     0.05   0.00  -0.07
     8   6    -0.00  -0.01  -0.00    -0.04  -0.01  -0.01    -0.07   0.05  -0.12
     9   8     0.03   0.02  -0.08     0.01   0.01  -0.05    -0.11  -0.08   0.17
    10   6    -0.01  -0.01  -0.01    -0.02  -0.06   0.00     0.03  -0.04  -0.11
    11   1    -0.01  -0.01  -0.12    -0.15   0.12  -0.04     0.04   0.00  -0.14
    12   1     0.01  -0.01  -0.11    -0.00   0.15  -0.11     0.02  -0.01  -0.13
    13   1    -0.03  -0.00   0.05    -0.19  -0.04   0.06     0.01   0.03   0.11
    14   1     0.01   0.00   0.06     0.13   0.04  -0.01     0.01   0.04   0.12
    15   1     0.02  -0.04   0.03     0.03  -0.05   0.02     0.14   0.07  -0.07
    16   6     0.01   0.04  -0.03     0.25   0.06  -0.04     0.03  -0.05   0.02
    17   1     0.00  -0.01  -0.01    -0.03  -0.02  -0.05     0.01   0.07  -0.38
    18   1    -0.02  -0.07  -0.01    -0.09  -0.05  -0.01    -0.33   0.25  -0.11
    19   1     0.03   0.01  -0.03    -0.04  -0.05  -0.01     0.02   0.15  -0.41
    20   1    -0.07  -0.06  -0.03    -0.09  -0.09  -0.01     0.23  -0.36  -0.18
    21   1     0.50   0.30  -0.12     0.07   0.00  -0.00     0.10  -0.12  -0.00
    22   1    -0.08  -0.23   0.41     0.33   0.41  -0.22     0.02  -0.08   0.10
    23   1    -0.37   0.08  -0.43     0.59  -0.11   0.04    -0.03  -0.00   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    383.8280               401.0997               435.0432
 Red. masses --      2.9276                 3.0497                 4.3217
 Frc consts  --      0.2541                 0.2891                 0.4819
 IR Inten    --      0.4174                 0.9095                 0.8484
 RamAct Fr= 1--      1.9494                 0.3893                 3.4239
  Dep-P Fr= 1--      0.1150                 0.4444                 0.6586
  Dep-U Fr= 1--      0.2063                 0.6153                 0.7942
 Alpha2 Fr= 1--      0.0329                 0.0024                 0.0056
 Beta2  Fr= 1--      0.0670                 0.0399                 0.4532
 AlphaG Fr= 1--      0.0224                 0.0009                -0.0101
 Gamma2 Fr= 1--     -0.5451                 0.2264                 0.8119
 Delta2 Fr= 1--     -0.1946                 0.0669                 0.5383
 Raman1 Fr= 1--       7.798                  1.557                 13.695
 ROA1   Fr= 1--     -58.555                 23.880                 95.170
 CID1   Fr= 1--      -7.509                 15.335                  6.949
 Raman2 Fr= 1--       0.804                  0.479                  5.438
 ROA2   Fr= 1--     -11.526                  4.899                 15.180
 CID2   Fr= 1--     -14.327                 10.226                  2.791
 Raman3 Fr= 1--       1.609                  0.958                 10.877
 ROA3   Fr= 1--     -58.555                 23.880                 95.170
 CID3   Fr= 1--     -36.394                 24.922                  8.750
 RC180  Fr= 1--      -0.587                  0.231                  0.588
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.00     0.01  -0.08   0.02    -0.15  -0.06   0.08
     2   6     0.07   0.06   0.13    -0.03  -0.08   0.05    -0.06  -0.05  -0.05
     3   6    -0.00  -0.09  -0.14     0.03   0.03  -0.05    -0.13  -0.09  -0.04
     4   6     0.02  -0.09   0.09    -0.06   0.11   0.02    -0.09  -0.07  -0.05
     5   6     0.08  -0.10  -0.03    -0.03   0.12  -0.02    -0.01  -0.05   0.11
     6   6     0.13  -0.03  -0.11    -0.08   0.00  -0.06    -0.01  -0.07  -0.03
     7   6     0.01   0.01   0.14    -0.11   0.03   0.09    -0.02   0.15  -0.12
     8   6    -0.12   0.05  -0.03    -0.08  -0.13  -0.03     0.12   0.13  -0.07
     9   8    -0.03   0.06   0.03     0.09  -0.13   0.03     0.21   0.08   0.09
    10   6    -0.01  -0.03  -0.03     0.13   0.02  -0.01     0.14  -0.10   0.02
    11   1    -0.04   0.07  -0.01     0.05  -0.12   0.02    -0.18  -0.02   0.16
    12   1     0.08   0.14   0.28    -0.05  -0.13   0.10    -0.04   0.01  -0.14
    13   1    -0.06  -0.13  -0.29     0.16   0.05  -0.10    -0.15  -0.10  -0.10
    14   1     0.21  -0.03  -0.21    -0.20  -0.04  -0.12    -0.01  -0.09  -0.12
    15   1     0.10   0.01   0.12    -0.12   0.05   0.10     0.01   0.24  -0.11
    16   6    -0.09   0.08   0.00     0.06   0.16   0.01    -0.07   0.10   0.05
    17   1    -0.03   0.08  -0.32    -0.04  -0.24  -0.24     0.09  -0.07  -0.07
    18   1    -0.44   0.04  -0.03    -0.30  -0.15  -0.03     0.14   0.29  -0.06
    19   1    -0.12  -0.03  -0.09     0.25   0.09  -0.06     0.13   0.05  -0.24
    20   1     0.01  -0.07  -0.04     0.22  -0.05  -0.02     0.19  -0.39  -0.06
    21   1    -0.13   0.27   0.02     0.10   0.28   0.00    -0.06  -0.04   0.04
    22   1    -0.10  -0.05  -0.07     0.10   0.37   0.01    -0.09   0.01   0.08
    23   1    -0.17   0.07  -0.12     0.23  -0.02  -0.15    -0.14   0.20   0.17
                     10                     11                     12
                      A                      A                      A
 Frequencies --    453.2907               501.4571               535.4541
 Red. masses --      3.2336                 4.1877                 4.5117
 Frc consts  --      0.3915                 0.6204                 0.7621
 IR Inten    --      5.8594                 1.8608                 1.8224
 RamAct Fr= 1--      1.3076                 2.5291                 9.6860
  Dep-P Fr= 1--      0.4261                 0.6902                 0.0636
  Dep-U Fr= 1--      0.5976                 0.8167                 0.1195
 Alpha2 Fr= 1--      0.0088                 0.0027                 0.1852
 Beta2  Fr= 1--      0.1302                 0.3442                 0.1929
 AlphaG Fr= 1--     -0.0080                -0.0028                -0.0399
 Gamma2 Fr= 1--      1.2807                -1.7947                -1.0952
 Delta2 Fr= 1--      0.1428                -0.3376                -0.1771
 Raman1 Fr= 1--       5.231                 10.116                 38.744
 ROA1   Fr= 1--     127.520               -183.089               -110.812
 CID1   Fr= 1--      24.380                -18.098                 -2.860
 Raman2 Fr= 1--       1.563                  4.131                  2.315
 ROA2   Fr= 1--      29.596                -40.371                -24.869
 CID2   Fr= 1--      18.938                 -9.773                -10.741
 Raman3 Fr= 1--       3.126                  8.262                  4.631
 ROA3   Fr= 1--     127.520               -183.089               -110.812
 CID3   Fr= 1--      40.799                -22.161                -23.930
 RC180  Fr= 1--       0.195                  0.633                 -0.761
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06   0.11    -0.03   0.04  -0.15     0.14   0.09   0.13
     2   6    -0.07   0.02   0.02    -0.16   0.06   0.11     0.12   0.05  -0.14
     3   6     0.04   0.05  -0.17    -0.02   0.06   0.06     0.10  -0.08  -0.05
     4   6     0.04   0.06   0.13     0.05   0.01   0.10     0.01  -0.04  -0.16
     5   6    -0.08   0.05   0.23    -0.07  -0.09  -0.17    -0.05  -0.07   0.08
     6   6    -0.07   0.01  -0.16    -0.10  -0.01  -0.03     0.04   0.11   0.07
     7   6     0.09  -0.03  -0.02     0.17   0.10   0.06    -0.05   0.12   0.01
     8   6     0.08  -0.01  -0.01     0.20   0.00  -0.07     0.02  -0.05  -0.03
     9   8    -0.06  -0.05  -0.02    -0.01  -0.14   0.01    -0.10  -0.14  -0.05
    10   6    -0.06  -0.03   0.01    -0.03  -0.14   0.02    -0.10  -0.18   0.04
    11   1     0.06   0.02   0.15     0.03  -0.03  -0.29     0.07   0.17   0.32
    12   1    -0.08  -0.04  -0.06    -0.18   0.06   0.29     0.11  -0.06  -0.26
    13   1     0.04  -0.01  -0.51    -0.12   0.05   0.11     0.06  -0.07   0.04
    14   1    -0.03  -0.04  -0.52    -0.04   0.02   0.06     0.11   0.14   0.15
    15   1     0.17  -0.06  -0.04     0.29   0.19   0.05    -0.15   0.24   0.04
    16   6     0.04  -0.08  -0.02    -0.01   0.11   0.03    -0.07   0.21   0.07
    17   1     0.06   0.07   0.09     0.20   0.07  -0.03    -0.02  -0.06   0.11
    18   1     0.17  -0.02  -0.01     0.24   0.00  -0.07     0.15  -0.10  -0.03
    19   1     0.09   0.12  -0.13    -0.04  -0.27   0.21    -0.05  -0.15   0.02
    20   1    -0.13  -0.25  -0.06     0.01   0.11   0.10    -0.19  -0.21   0.01
    21   1     0.08  -0.10  -0.03    -0.10   0.23   0.06    -0.10   0.28   0.08
    22   1     0.03  -0.11   0.02    -0.03  -0.05  -0.08    -0.07   0.20   0.02
    23   1     0.01  -0.05  -0.01    -0.11   0.16  -0.00    -0.06   0.18   0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    591.6772               660.4895               725.6996
 Red. masses --      2.9716                 4.5214                 4.0083
 Frc consts  --      0.6129                 1.1621                 1.2437
 IR Inten    --      2.1589                10.6531                 3.5501
 RamAct Fr= 1--      2.0240                 2.4513                11.3806
  Dep-P Fr= 1--      0.3100                 0.4769                 0.0703
  Dep-U Fr= 1--      0.4733                 0.6458                 0.1314
 Alpha2 Fr= 1--      0.0201                 0.0134                 0.2141
 Beta2  Fr= 1--      0.1596                 0.2638                 0.2493
 AlphaG Fr= 1--      0.0141                 0.0032                 0.0645
 Gamma2 Fr= 1--      0.9106                -0.2025                -0.6200
 Delta2 Fr= 1--      0.2628                -0.3192                 0.0671
 Raman1 Fr= 1--       8.096                  9.805                 45.522
 ROA1   Fr= 1--      95.826                -29.654                -57.376
 CID1   Fr= 1--      11.836                 -3.024                 -1.260
 Raman2 Fr= 1--       1.916                  3.166                  2.992
 ROA2   Fr= 1--      19.751                 -2.307                -15.417
 CID2   Fr= 1--      10.310                 -0.729                 -5.153
 Raman3 Fr= 1--       3.832                  6.332                  5.983
 ROA3   Fr= 1--      95.826                -29.654                -57.376
 CID3   Fr= 1--      25.009                 -4.683                 -9.589
 RC180  Fr= 1--      -0.053                  0.292                 -0.737
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.05   0.10     0.20   0.08  -0.07     0.02   0.03  -0.15
     2   6    -0.13  -0.03  -0.15    -0.04   0.06   0.04    -0.09   0.01   0.11
     3   6    -0.00   0.10  -0.10     0.11  -0.10   0.06     0.04   0.23   0.07
     4   6     0.10  -0.01  -0.13    -0.03  -0.04  -0.05     0.11   0.03  -0.18
     5   6     0.01  -0.01  -0.02    -0.17  -0.05  -0.02     0.06  -0.05   0.17
     6   6    -0.06  -0.06   0.10    -0.18   0.19  -0.10     0.09  -0.20  -0.09
     7   6     0.14  -0.06   0.17    -0.03  -0.04   0.03    -0.07   0.01  -0.06
     8   6    -0.00  -0.01   0.02    -0.04   0.03   0.05    -0.08  -0.03   0.02
     9   8     0.04   0.03   0.01     0.18   0.15   0.02     0.01   0.02  -0.02
    10   6     0.01   0.02  -0.01    -0.02  -0.16   0.06    -0.05  -0.09   0.06
    11   1     0.02  -0.01   0.38     0.17   0.11   0.02     0.17  -0.11   0.06
    12   1    -0.13   0.00  -0.16    -0.14  -0.21   0.24    -0.06   0.16   0.24
    13   1    -0.06   0.11   0.07     0.04  -0.08   0.24     0.03   0.29   0.40
    14   1    -0.05  -0.03   0.29    -0.14   0.21   0.01     0.19  -0.18  -0.13
    15   1     0.04  -0.06   0.18    -0.10  -0.14   0.03    -0.21  -0.01  -0.03
    16   6     0.01  -0.02  -0.01     0.02  -0.10  -0.04    -0.03   0.05   0.01
    17   1     0.12   0.12  -0.32     0.03  -0.06  -0.25    -0.09  -0.09   0.03
    18   1    -0.38  -0.09   0.02    -0.35   0.04   0.05    -0.07  -0.03   0.02
    19   1     0.00   0.05  -0.06    -0.08  -0.07  -0.11    -0.02   0.04  -0.13
    20   1     0.04  -0.04  -0.02    -0.01  -0.34   0.01    -0.15  -0.35  -0.03
    21   1    -0.17   0.23   0.05     0.02  -0.11  -0.04     0.01  -0.04  -0.00
    22   1    -0.00  -0.19  -0.23     0.02  -0.08  -0.03    -0.02   0.13   0.08
    23   1    -0.07  -0.03  -0.11     0.03  -0.11  -0.03     0.01   0.05   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    750.3471               771.6745               838.8694
 Red. masses --      1.9002                 1.8036                 4.0448
 Frc consts  --      0.6303                 0.6328                 1.6770
 IR Inten    --     29.2085                28.5776                 0.8743
 RamAct Fr= 1--      5.3997                 3.1144                 4.4651
  Dep-P Fr= 1--      0.1223                 0.2984                 0.1917
  Dep-U Fr= 1--      0.2180                 0.4597                 0.3217
 Alpha2 Fr= 1--      0.0895                 0.0321                 0.0620
 Beta2  Fr= 1--      0.1962                 0.2386                 0.2394
 AlphaG Fr= 1--     -0.0138                 0.0135                -0.0191
 Gamma2 Fr= 1--      0.1307                -0.9485                 0.3996
 Delta2 Fr= 1--      0.1426                 0.0195                 0.1814
 Raman1 Fr= 1--      21.599                 12.458                 17.860
 ROA1   Fr= 1--      17.112                -90.438                 44.166
 CID1   Fr= 1--       0.792                 -7.260                  2.473
 Raman2 Fr= 1--       2.355                  2.863                  2.873
 ROA2   Fr= 1--       1.996                -22.921                  8.139
 CID2   Fr= 1--       0.848                 -8.005                  2.833
 Raman3 Fr= 1--       4.709                  5.727                  5.745
 ROA3   Fr= 1--      17.112                -90.438                 44.166
 CID3   Fr= 1--       3.634                -15.792                  7.687
 RC180  Fr= 1--      -0.564                 -0.081                 -0.357
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.09     0.02   0.02  -0.00     0.13   0.14  -0.05
     2   6     0.07  -0.01   0.00    -0.01  -0.02  -0.12    -0.22   0.06  -0.02
     3   6    -0.05  -0.08  -0.00     0.03   0.04  -0.09     0.07  -0.18   0.02
     4   6    -0.04  -0.02  -0.06    -0.00   0.04   0.17     0.07  -0.16   0.01
     5   6    -0.02   0.07   0.10     0.02  -0.03  -0.06     0.01  -0.05   0.07
     6   6     0.01   0.06  -0.09     0.01  -0.04   0.00    -0.06  -0.07   0.01
     7   6     0.06  -0.01   0.05    -0.06   0.01  -0.05     0.00  -0.00  -0.07
     8   6     0.05   0.00  -0.02    -0.03   0.00  -0.00    -0.08  -0.05  -0.00
     9   8    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.04   0.01
    10   6     0.00   0.07   0.02    -0.01  -0.05   0.00     0.10   0.25  -0.06
    11   1    -0.18   0.10   0.45     0.04   0.04   0.50     0.14   0.14   0.18
    12   1     0.04   0.07   0.50    -0.05   0.09   0.52    -0.27  -0.08   0.06
    13   1    -0.05  -0.00   0.48     0.03   0.07   0.06    -0.24  -0.23   0.16
    14   1    -0.09   0.07   0.18     0.01   0.03   0.49     0.11  -0.04  -0.10
    15   1     0.05   0.06   0.06     0.09  -0.06  -0.08     0.07   0.02  -0.07
    16   6     0.02  -0.01   0.00    -0.01  -0.00  -0.01    -0.02   0.09   0.02
    17   1     0.07   0.11  -0.01    -0.07  -0.09   0.09    -0.16  -0.15   0.22
    18   1     0.05  -0.03  -0.02     0.08   0.05  -0.00     0.17  -0.04  -0.00
    19   1     0.13   0.17  -0.07    -0.07  -0.07   0.01     0.20   0.24   0.01
    20   1    -0.04  -0.07  -0.03     0.00  -0.02   0.01     0.16   0.29  -0.04
    21   1    -0.07   0.11   0.03     0.11  -0.16  -0.05    -0.03  -0.01   0.02
    22   1     0.01  -0.11  -0.11    -0.00   0.13   0.15    -0.03   0.03   0.07
    23   1    -0.03  -0.01  -0.06     0.06  -0.01   0.06    -0.08   0.17   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    878.4612               910.0244               942.4821
 Red. masses --      1.3563                 1.6494                 1.3594
 Frc consts  --      0.6167                 0.8048                 0.7114
 IR Inten    --      0.0716                 4.7759                 0.9822
 RamAct Fr= 1--      0.6942                 0.8739                 0.3741
  Dep-P Fr= 1--      0.7259                 0.4718                 0.5664
  Dep-U Fr= 1--      0.8412                 0.6411                 0.7232
 Alpha2 Fr= 1--      0.0003                 0.0049                 0.0013
 Beta2  Fr= 1--      0.0973                 0.0934                 0.0451
 AlphaG Fr= 1--      0.0004                 0.0132                 0.0019
 Gamma2 Fr= 1--      0.0709                 0.7767                 0.1411
 Delta2 Fr= 1--      0.1523                 0.5562                -0.0768
 Raman1 Fr= 1--       2.777                  3.496                  1.497
 ROA1   Fr= 1--      11.684                 92.361                 11.086
 CID1   Fr= 1--       4.208                 26.421                  7.408
 Raman2 Fr= 1--       1.168                  1.121                  0.541
 ROA2   Fr= 1--       0.484                 14.191                  4.001
 CID2   Fr= 1--       0.414                 12.665                  7.394
 Raman3 Fr= 1--       2.336                  2.241                  1.082
 ROA3   Fr= 1--      11.684                 92.361                 11.086
 CID3   Fr= 1--       5.002                 41.212                 10.243
 RC180  Fr= 1--       0.682                  0.282                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.06    -0.04  -0.04  -0.00    -0.01   0.01   0.05
     2   6    -0.00  -0.00  -0.04     0.02  -0.01   0.00    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.10    -0.02   0.00  -0.00     0.01  -0.02  -0.10
     4   6     0.01  -0.02  -0.04     0.02   0.01   0.00     0.00   0.00   0.04
     5   6    -0.00   0.01   0.03    -0.00   0.02  -0.00     0.00   0.00  -0.01
     6   6     0.01  -0.02  -0.10    -0.01   0.04  -0.00     0.01  -0.01  -0.09
     7   6     0.01  -0.00  -0.00     0.10   0.03  -0.05     0.00   0.00   0.00
     8   6    -0.01  -0.01   0.00    -0.08  -0.02   0.12    -0.02   0.00  -0.01
     9   8    -0.01  -0.00  -0.01    -0.00  -0.03  -0.04    -0.00  -0.00  -0.01
    10   6     0.00   0.03   0.02     0.03  -0.03   0.01     0.00   0.01   0.03
    11   1     0.02  -0.05  -0.41    -0.06  -0.01   0.02     0.02  -0.04  -0.27
    12   1    -0.03   0.04   0.30     0.03  -0.00  -0.00     0.03  -0.07  -0.50
    13   1     0.01  -0.10  -0.53    -0.03  -0.00  -0.00    -0.03   0.08   0.53
    14   1    -0.04   0.08   0.61    -0.06   0.03  -0.03    -0.04   0.07   0.54
    15   1    -0.04   0.02   0.01     0.08  -0.32  -0.09     0.09   0.00  -0.02
    16   6     0.00   0.01   0.01     0.04   0.09  -0.04     0.00  -0.00  -0.00
    17   1    -0.01   0.01   0.01    -0.02   0.02  -0.08    -0.05  -0.02   0.08
    18   1    -0.00  -0.03   0.00    -0.28  -0.12   0.11     0.07   0.00  -0.01
    19   1     0.05   0.11  -0.07     0.07  -0.05   0.05     0.04   0.08  -0.06
    20   1    -0.01  -0.09  -0.02    -0.00   0.01   0.01     0.01  -0.10  -0.00
    21   1    -0.03   0.04   0.02    -0.03  -0.38  -0.05     0.01  -0.03  -0.01
    22   1    -0.00  -0.04  -0.03    -0.04  -0.24   0.11     0.00   0.00   0.01
    23   1    -0.03   0.03   0.01    -0.22   0.48   0.44    -0.00   0.01   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --    961.0338               964.6707               980.2272
 Red. masses --      1.8165                 1.3013                 2.3635
 Frc consts  --      0.9884                 0.7135                 1.3380
 IR Inten    --      4.6868                 0.7389                28.7010
 RamAct Fr= 1--      0.7194                 0.2463                 1.2850
  Dep-P Fr= 1--      0.3046                 0.1709                 0.4445
  Dep-U Fr= 1--      0.4670                 0.2920                 0.6155
 Alpha2 Fr= 1--      0.0073                 0.0036                 0.0081
 Beta2  Fr= 1--      0.0560                 0.0120                 0.1318
 AlphaG Fr= 1--     -0.0128                 0.0087                -0.0119
 Gamma2 Fr= 1--     -0.3568                 0.1043                -0.0698
 Delta2 Fr= 1--     -0.2362                -0.1231                 0.1173
 Raman1 Fr= 1--       2.877                  0.985                  5.140
 ROA1   Fr= 1--     -41.808                  6.077                 -2.942
 CID1   Fr= 1--     -14.530                  6.169                 -0.572
 Raman2 Fr= 1--       0.672                  0.144                  1.582
 ROA2   Fr= 1--      -6.672                  3.489                 -2.613
 CID2   Fr= 1--      -9.932                 24.261                 -1.652
 Raman3 Fr= 1--       1.344                  0.288                  3.164
 ROA3   Fr= 1--     -41.808                  6.077                 -2.942
 CID3   Fr= 1--     -31.116                 21.129                 -0.930
 RC180  Fr= 1--      -0.066                 -0.416                  0.231
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.04     0.01  -0.02  -0.09     0.02   0.01   0.01
     2   6     0.01   0.01   0.04    -0.01   0.01   0.07    -0.06   0.01  -0.01
     3   6    -0.01  -0.02   0.02    -0.00   0.02   0.06     0.01  -0.03   0.00
     4   6     0.01   0.00  -0.00    -0.00   0.00   0.01    -0.02   0.00  -0.02
     5   6    -0.01  -0.00   0.02     0.00  -0.00  -0.01     0.03   0.01   0.04
     6   6     0.01  -0.02  -0.03    -0.00   0.00  -0.03    -0.00  -0.02  -0.02
     7   6    -0.01  -0.06  -0.01     0.00   0.02   0.01    -0.05  -0.02   0.04
     8   6     0.15  -0.08  -0.01    -0.05   0.03   0.00     0.04   0.20   0.07
     9   8     0.02   0.03   0.05    -0.01  -0.01  -0.02    -0.08  -0.07  -0.09
    10   6    -0.10   0.06  -0.05     0.04  -0.02   0.01     0.15  -0.07  -0.00
    11   1    -0.06   0.07   0.22    -0.02   0.07   0.61     0.05  -0.03  -0.05
    12   1     0.04  -0.00  -0.26     0.02  -0.08  -0.49    -0.07  -0.01   0.01
    13   1    -0.01  -0.05  -0.12     0.03  -0.05  -0.44     0.02  -0.03   0.05
    14   1    -0.00   0.02   0.20    -0.03   0.04   0.27     0.03   0.01   0.08
    15   1    -0.06  -0.35  -0.04     0.01   0.11   0.02    -0.18  -0.24   0.03
    16   6    -0.08   0.07   0.00     0.02  -0.02   0.00    -0.07  -0.03  -0.02
    17   1     0.28   0.02  -0.36    -0.08   0.00   0.10     0.16   0.49  -0.17
    18   1    -0.22  -0.10  -0.00     0.06   0.03   0.00    -0.21   0.12   0.05
    19   1    -0.14   0.03  -0.03     0.03  -0.03   0.02     0.28  -0.17   0.22
    20   1    -0.10   0.09  -0.04     0.04  -0.00   0.02     0.09   0.16   0.05
    21   1     0.16  -0.17  -0.06    -0.05   0.07   0.02     0.15  -0.14  -0.07
    22   1    -0.05   0.37   0.28     0.01  -0.11  -0.09    -0.03   0.29   0.18
    23   1     0.14  -0.01   0.11    -0.03  -0.01  -0.04     0.17  -0.18  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1024.7519              1050.2594              1068.6883
 Red. masses --      1.9089                 2.7252                 2.4108
 Frc consts  --      1.1811                 1.7711                 1.6222
 IR Inten    --      5.1264                 2.1061                 5.7955
 RamAct Fr= 1--      3.6612                 6.6057                40.6299
  Dep-P Fr= 1--      0.3113                 0.2105                 0.0457
  Dep-U Fr= 1--      0.4749                 0.3478                 0.0874
 Alpha2 Fr= 1--      0.0363                 0.0872                 0.8108
 Beta2  Fr= 1--      0.2898                 0.3829                 0.5921
 AlphaG Fr= 1--     -0.0254                -0.0030                 0.1937
 Gamma2 Fr= 1--     -0.6044                 1.4511                -1.4980
 Delta2 Fr= 1--     -0.1834                -0.2513                -1.6379
 Raman1 Fr= 1--      14.645                 26.423                162.519
 ROA1   Fr= 1--     -63.892                131.261               -196.226
 CID1   Fr= 1--      -4.363                  4.968                 -1.207
 Raman2 Fr= 1--       3.477                  4.595                  7.105
 ROA2   Fr= 1--     -13.038                 36.837                -22.849
 CID2   Fr= 1--      -3.750                  8.017                 -3.216
 Raman3 Fr= 1--       6.954                  9.190                 14.209
 ROA3   Fr= 1--     -63.892                131.261               -196.226
 CID3   Fr= 1--      -9.188                 14.283                -13.810
 RC180  Fr= 1--      -0.050                 -0.304                 -0.825
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.01    -0.07  -0.11   0.02     0.09   0.16  -0.02
     2   6     0.00  -0.01  -0.00    -0.01  -0.01  -0.00     0.17  -0.11   0.03
     3   6    -0.00   0.01   0.02     0.00   0.08  -0.01    -0.11   0.11  -0.03
     4   6     0.05  -0.03  -0.01     0.10  -0.06  -0.02    -0.02  -0.05   0.00
     5   6     0.01  -0.00  -0.12     0.01  -0.02   0.10    -0.04  -0.00   0.01
     6   6    -0.02   0.05   0.04    -0.04   0.17  -0.05    -0.06  -0.08   0.00
     7   6     0.03  -0.10   0.01     0.05  -0.16  -0.05     0.00  -0.08  -0.01
     8   6    -0.03   0.02  -0.05    -0.08   0.01  -0.03    -0.01   0.05  -0.01
     9   8    -0.02   0.01  -0.05     0.01   0.04   0.04     0.02  -0.01  -0.00
    10   6     0.01   0.02   0.17     0.05  -0.05  -0.12     0.01   0.00  -0.02
    11   1    -0.02  -0.02   0.05     0.06  -0.24  -0.01    -0.03   0.30  -0.05
    12   1    -0.00  -0.03  -0.01    -0.05  -0.12   0.05     0.10  -0.39   0.07
    13   1    -0.02  -0.01  -0.10     0.06   0.09   0.02    -0.52   0.02  -0.01
    14   1    -0.03   0.01  -0.19     0.01   0.20   0.06    -0.49  -0.20   0.01
    15   1     0.23  -0.22  -0.04     0.26  -0.09  -0.08     0.03  -0.10  -0.02
    16   6    -0.07   0.05   0.03    -0.06   0.07   0.08     0.01   0.03   0.03
    17   1    -0.08   0.16   0.18    -0.17  -0.10   0.19    -0.01   0.04   0.03
    18   1     0.18  -0.01  -0.05     0.18   0.18  -0.02     0.05   0.10  -0.01
    19   1     0.15   0.38  -0.30    -0.15  -0.35   0.23     0.05  -0.04   0.05
    20   1     0.08  -0.51   0.00     0.02   0.38   0.02     0.04   0.08   0.01
    21   1     0.09  -0.01  -0.01    -0.01   0.24   0.08    -0.06   0.09   0.05
    22   1    -0.04   0.29   0.19    -0.03   0.24   0.06     0.01   0.01  -0.03
    23   1     0.10  -0.04   0.03     0.05  -0.06  -0.06    -0.04   0.06   0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1116.9134              1126.3546              1145.6700
 Red. masses --      2.2845                 3.3563                 1.9580
 Frc consts  --      1.6791                 2.5088                 1.5142
 IR Inten    --     14.1859                48.6144                 3.7843
 RamAct Fr= 1--      3.5719                 2.3587                 0.4441
  Dep-P Fr= 1--      0.4011                 0.7492                 0.7485
  Dep-U Fr= 1--      0.5725                 0.8566                 0.8562
 Alpha2 Fr= 1--      0.0264                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3408                 0.3367                 0.0634
 AlphaG Fr= 1--      0.0725                -0.0015                -0.0004
 Gamma2 Fr= 1--     -0.4867                -0.4440                 0.2373
 Delta2 Fr= 1--      0.9623                -0.3956                 0.0777
 Raman1 Fr= 1--      14.288                  9.435                  1.776
 ROA1   Fr= 1--     -15.930                -55.285                 25.263
 CID1   Fr= 1--      -1.115                 -5.860                 14.221
 Raman2 Fr= 1--       4.090                  4.041                  0.760
 ROA2   Fr= 1--     -19.379                 -7.491                  5.073
 CID2   Fr= 1--      -4.738                 -1.854                  6.671
 Raman3 Fr= 1--       8.180                  8.082                  1.521
 ROA3   Fr= 1--     -15.930                -55.285                 25.263
 CID3   Fr= 1--      -1.947                 -6.841                 16.610
 RC180  Fr= 1--       0.145                  0.713                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.00     0.05   0.02   0.00     0.03  -0.05   0.01
     2   6     0.05  -0.01   0.00    -0.03  -0.02  -0.00    -0.00  -0.05   0.01
     3   6    -0.00   0.01   0.01    -0.04   0.01   0.01    -0.06   0.11  -0.02
     4   6     0.09  -0.03  -0.06    -0.07   0.01  -0.06    -0.02  -0.08   0.02
     5   6    -0.04  -0.03   0.03     0.06   0.02   0.04    -0.01  -0.09  -0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00  -0.00     0.04   0.11  -0.01
     7   6     0.05   0.15   0.13    -0.02   0.04   0.17    -0.08   0.03   0.06
     8   6    -0.08   0.04   0.01     0.04  -0.14  -0.17     0.05   0.06  -0.02
     9   8     0.07  -0.07   0.02    -0.14   0.15   0.04     0.03  -0.06   0.00
    10   6    -0.06   0.03  -0.05     0.17  -0.08   0.03    -0.05   0.09  -0.01
    11   1    -0.16   0.12  -0.04     0.13  -0.05  -0.00     0.34  -0.35   0.08
    12   1     0.07   0.06   0.01    -0.09  -0.23   0.04    -0.11  -0.42   0.04
    13   1    -0.06  -0.02  -0.05    -0.13  -0.02  -0.04    -0.21   0.07  -0.03
    14   1    -0.13  -0.03  -0.01    -0.03   0.00  -0.01     0.45   0.22  -0.00
    15   1     0.38   0.19   0.07     0.18  -0.10   0.11    -0.21  -0.02   0.08
    16   6    -0.08  -0.07  -0.11     0.01   0.01  -0.11     0.03  -0.00  -0.05
    17   1    -0.16  -0.18   0.17    -0.05   0.07   0.18     0.05  -0.00  -0.04
    18   1     0.09  -0.02   0.01     0.25  -0.25  -0.16     0.04  -0.02  -0.03
    19   1     0.03  -0.01   0.04    -0.25  -0.21   0.02     0.09   0.16  -0.05
    20   1     0.01   0.08  -0.02     0.09   0.10   0.06    -0.02  -0.03  -0.04
    21   1     0.30  -0.36  -0.20     0.09  -0.42  -0.14    -0.03  -0.17  -0.04
    22   1    -0.04   0.30   0.27    -0.02  -0.07   0.18     0.00  -0.14  -0.00
    23   1     0.23  -0.20   0.02     0.01   0.17   0.24    -0.06   0.11   0.09
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1165.4666              1189.0545              1224.9047
 Red. masses --      2.2785                 1.1196                 2.2813
 Frc consts  --      1.8234                 0.9327                 2.0167
 IR Inten    --     26.9554                 0.1001                 9.4151
 RamAct Fr= 1--      1.0795                 5.9469                 0.9554
  Dep-P Fr= 1--      0.5741                 0.6467                 0.7451
  Dep-U Fr= 1--      0.7295                 0.7854                 0.8539
 Alpha2 Fr= 1--      0.0036                 0.0111                 0.0001
 Beta2  Fr= 1--      0.1312                 0.7785                 0.1360
 AlphaG Fr= 1--      0.0187                -0.0039                 0.0010
 Gamma2 Fr= 1--      0.0233                -0.1731                -0.7207
 Delta2 Fr= 1--     -0.6201                -0.3774                -0.3645
 Raman1 Fr= 1--       4.318                 23.788                  3.822
 ROA1   Fr= 1--     -17.611                -28.696                -80.848
 CID1   Fr= 1--      -4.079                 -1.206                -21.155
 Raman2 Fr= 1--       1.575                  9.342                  1.632
 ROA2   Fr= 1--       5.519                 -1.135                -14.380
 CID2   Fr= 1--       3.504                 -0.122                 -8.813
 Raman3 Fr= 1--       3.150                 18.683                  3.263
 ROA3   Fr= 1--     -17.611                -28.696                -80.848
 CID3   Fr= 1--      -5.591                 -1.536                -24.774
 RC180  Fr= 1--       0.459                  0.571                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.00     0.04  -0.04   0.01     0.08   0.02   0.00
     2   6     0.01  -0.04   0.01     0.02   0.05  -0.01    -0.07  -0.01  -0.00
     3   6    -0.06   0.02  -0.01    -0.04  -0.01  -0.00    -0.07  -0.07   0.01
     4   6     0.08  -0.02   0.04     0.02  -0.01   0.00    -0.14   0.08  -0.06
     5   6     0.04  -0.03  -0.01     0.01   0.00   0.00     0.10   0.14  -0.02
     6   6    -0.01   0.06  -0.01    -0.04   0.00  -0.00     0.08  -0.02   0.01
     7   6     0.05   0.13  -0.12    -0.01   0.01   0.00     0.08  -0.03   0.00
     8   6     0.02  -0.13   0.10     0.00   0.00  -0.00    -0.04   0.01   0.05
     9   8    -0.09   0.06  -0.03    -0.00  -0.00   0.00     0.05  -0.03  -0.00
    10   6     0.08  -0.00   0.05     0.00   0.00   0.00    -0.08  -0.04  -0.02
    11   1     0.03  -0.04   0.01     0.44  -0.43   0.09     0.30  -0.20   0.04
    12   1    -0.09  -0.36   0.04     0.16   0.55  -0.07    -0.16  -0.28   0.03
    13   1    -0.39  -0.06   0.02    -0.36  -0.09  -0.00    -0.27  -0.12  -0.02
    14   1     0.04   0.08  -0.01    -0.35  -0.08  -0.01     0.26   0.02   0.00
    15   1    -0.03   0.39  -0.07    -0.04   0.01   0.01     0.57  -0.01  -0.08
    16   6    -0.05  -0.06   0.02     0.00  -0.01  -0.00    -0.03  -0.00   0.02
    17   1     0.11  -0.03  -0.18     0.00  -0.00  -0.00    -0.03  -0.09  -0.01
    18   1    -0.34  -0.13   0.11    -0.00  -0.01  -0.00    -0.01   0.22   0.06
    19   1     0.06   0.04  -0.02    -0.00   0.01  -0.01    -0.10  -0.07   0.01
    20   1    -0.04  -0.06   0.00    -0.01  -0.00  -0.00    -0.23  -0.07  -0.04
    21   1     0.11   0.16  -0.01     0.00   0.00  -0.00     0.06   0.06   0.00
    22   1     0.01   0.25  -0.04     0.01   0.01  -0.01    -0.00   0.09   0.01
    23   1     0.12  -0.25  -0.19    -0.01  -0.00  -0.00     0.06  -0.07  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1233.6758              1254.4559              1298.1978
 Red. masses --      2.3420                 1.1995                 1.4337
 Frc consts  --      2.1001                 1.1121                 1.4236
 IR Inten    --      5.6245                 6.1526                 2.3372
 RamAct Fr= 1--     35.4830                 5.8898                 1.1352
  Dep-P Fr= 1--      0.0865                 0.2454                 0.7472
  Dep-U Fr= 1--      0.1593                 0.3940                 0.8553
 Alpha2 Fr= 1--      0.6420                 0.0707                 0.0001
 Beta2  Fr= 1--      0.9420                 0.3868                 0.1618
 AlphaG Fr= 1--      0.0168                 0.0141                -0.0020
 Gamma2 Fr= 1--      1.5666                 3.4999                -1.1329
 Delta2 Fr= 1--      0.5777                 1.7774                 0.4578
 Raman1 Fr= 1--     141.932                 23.559                  4.541
 ROA1   Fr= 1--     168.877                392.867                -94.109
 CID1   Fr= 1--       1.190                 16.676                -20.726
 Raman2 Fr= 1--      11.304                  4.642                  1.942
 ROA2   Fr= 1--      32.976                 69.778                -30.851
 CID2   Fr= 1--       2.917                 15.033                -15.887
 Raman3 Fr= 1--      22.609                  9.283                  3.884
 ROA3   Fr= 1--     168.877                392.867                -94.109
 CID3   Fr= 1--       7.470                 42.320                -24.231
 RC180  Fr= 1--      -0.681                 -0.212                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.00     0.02  -0.00   0.00     0.00  -0.04   0.01
     2   6    -0.06   0.00  -0.00     0.01   0.00   0.00     0.02  -0.01   0.00
     3   6    -0.00  -0.08   0.01    -0.02  -0.00  -0.00     0.00  -0.03   0.00
     4   6     0.17   0.04   0.03    -0.04   0.03   0.00     0.07   0.10  -0.01
     5   6     0.20   0.10   0.00    -0.03  -0.01   0.03    -0.09   0.02  -0.02
     6   6    -0.02   0.06  -0.01     0.00  -0.02  -0.00    -0.01  -0.04   0.01
     7   6    -0.07   0.01   0.02     0.06   0.02  -0.04     0.02   0.02   0.01
     8   6    -0.00   0.06  -0.04    -0.04   0.00  -0.01    -0.03   0.01  -0.05
     9   8     0.03  -0.05   0.01     0.04  -0.02  -0.01     0.00   0.03   0.03
    10   6    -0.08  -0.04   0.01    -0.02   0.02   0.01     0.01  -0.03  -0.02
    11   1    -0.20   0.14  -0.03     0.05  -0.04   0.01    -0.12   0.08  -0.02
    12   1    -0.16  -0.31   0.03     0.01   0.00   0.01     0.06   0.09  -0.01
    13   1    -0.32  -0.16   0.01    -0.04  -0.00   0.01    -0.50  -0.16  -0.00
    14   1    -0.38  -0.02  -0.02     0.15   0.02   0.01     0.52   0.09   0.03
    15   1    -0.48  -0.06   0.08    -0.10  -0.03  -0.02    -0.20  -0.40  -0.01
    16   6     0.03  -0.00  -0.02    -0.02  -0.01   0.02     0.01  -0.02   0.02
    17   1    -0.04   0.01   0.05    -0.01   0.41   0.11    -0.09  -0.04   0.10
    18   1     0.07  -0.10  -0.05     0.02  -0.44  -0.04     0.09  -0.06  -0.05
    19   1    -0.35  -0.08  -0.09    -0.46  -0.05  -0.12     0.32  -0.01   0.10
    20   1    -0.02  -0.09   0.01     0.56   0.06   0.11    -0.10   0.03  -0.01
    21   1    -0.05  -0.04  -0.00     0.04   0.05   0.01    -0.02   0.10   0.03
    22   1     0.01  -0.07  -0.01     0.00   0.07  -0.02     0.03   0.04  -0.05
    23   1    -0.06   0.06   0.02     0.03  -0.06  -0.04    -0.03  -0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1314.9143              1323.3312              1336.2522
 Red. masses --      1.7385                 1.3335                 2.4560
 Frc consts  --      1.7710                 1.3759                 2.5838
 IR Inten    --      3.4165                 1.6848                 0.5976
 RamAct Fr= 1--      8.5325                 8.5226                 4.6211
  Dep-P Fr= 1--      0.2896                 0.5965                 0.2149
  Dep-U Fr= 1--      0.4491                 0.7473                 0.3538
 Alpha2 Fr= 1--      0.0903                 0.0243                 0.0603
 Beta2  Fr= 1--      0.6386                 1.0614                 0.2725
 AlphaG Fr= 1--     -0.0283                 0.0134                 0.0844
 Gamma2 Fr= 1--     -0.5188                 2.2892                -0.6306
 Delta2 Fr= 1--     -0.0227                -1.3003                -0.8682
 Raman1 Fr= 1--      34.130                 34.091                 18.484
 ROA1   Fr= 1--     -50.531                178.154                -88.323
 CID1   Fr= 1--      -1.481                  5.226                 -4.778
 Raman2 Fr= 1--       7.664                 12.737                  3.270
 ROA2   Fr= 1--     -12.269                 65.343                 -8.189
 CID2   Fr= 1--      -1.601                  5.130                 -2.504
 Raman3 Fr= 1--      15.327                 25.474                  6.539
 ROA3   Fr= 1--     -50.531                178.154                -88.323
 CID3   Fr= 1--      -3.297                  6.993                -13.506
 RC180  Fr= 1--      -0.102                  0.495                 -0.292
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.03  -0.01    -0.01   0.01  -0.00     0.09  -0.10   0.02
     2   6    -0.02  -0.08   0.01    -0.01  -0.02   0.00     0.05   0.10  -0.01
     3   6     0.08  -0.00   0.01     0.02  -0.01  -0.00    -0.11  -0.02  -0.01
     4   6     0.04  -0.05   0.01    -0.01  -0.00   0.02     0.04   0.16  -0.02
     5   6    -0.09   0.12  -0.00    -0.02   0.04  -0.02     0.03  -0.12   0.03
     6   6     0.07   0.01   0.00     0.02  -0.00   0.00    -0.14  -0.05  -0.00
     7   6    -0.05  -0.05   0.02     0.05  -0.11  -0.01    -0.00  -0.10   0.03
     8   6     0.05  -0.00   0.03    -0.04  -0.02  -0.00     0.01  -0.02   0.03
     9   8    -0.03   0.02  -0.06     0.03   0.01   0.04    -0.01  -0.02  -0.05
    10   6    -0.03  -0.04   0.03    -0.01  -0.02  -0.02     0.03   0.05   0.02
    11   1    -0.01  -0.02  -0.00     0.01  -0.01   0.01    -0.17   0.16  -0.03
    12   1     0.05   0.16  -0.01     0.02   0.05  -0.01     0.01  -0.03   0.01
    13   1    -0.33  -0.11  -0.00    -0.10  -0.03   0.01    -0.04  -0.01  -0.00
    14   1     0.17   0.03   0.01     0.07   0.01   0.01     0.29   0.06   0.02
    15   1     0.08   0.25   0.04    -0.30   0.67   0.15    -0.03   0.39   0.10
    16   6     0.01   0.01  -0.03    -0.02   0.03  -0.05     0.01   0.03  -0.04
    17   1     0.05  -0.32  -0.12     0.01   0.43   0.07     0.04  -0.10  -0.08
    18   1    -0.05   0.33   0.04     0.04  -0.10  -0.01     0.03   0.60   0.07
    19   1    -0.16  -0.01  -0.07     0.21  -0.02   0.08    -0.29   0.03  -0.11
    20   1     0.62   0.10   0.15    -0.26  -0.01  -0.05     0.18  -0.01   0.02
    21   1    -0.03  -0.06  -0.02     0.04  -0.12  -0.07    -0.02  -0.08  -0.03
    22   1    -0.01  -0.01   0.07    -0.03   0.06   0.14    -0.02  -0.03   0.10
    23   1    -0.03   0.08   0.07     0.03   0.09   0.14     0.00   0.10   0.11
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1364.5949              1386.1675              1411.6753
 Red. masses --      1.4565                 1.3889                 1.3030
 Frc consts  --      1.5979                 1.5723                 1.5299
 IR Inten    --      8.8509                 5.2948                 5.0977
 RamAct Fr= 1--      6.3222                 2.8061                 1.3044
  Dep-P Fr= 1--      0.2720                 0.4238                 0.2877
  Dep-U Fr= 1--      0.4277                 0.5953                 0.4468
 Alpha2 Fr= 1--      0.0704                 0.0191                 0.0139
 Beta2  Fr= 1--      0.4507                 0.2784                 0.0971
 AlphaG Fr= 1--      0.0243                -0.0534                 0.0316
 Gamma2 Fr= 1--      1.0679                 1.0013                -0.1620
 Delta2 Fr= 1--      0.7212                 1.0080                -0.0178
 Raman1 Fr= 1--      25.289                 11.224                  5.218
 ROA1   Fr= 1--     125.596                128.378                -16.116
 CID1   Fr= 1--       4.966                 11.437                 -3.089
 Raman2 Fr= 1--       5.408                  3.341                  1.166
 ROA2   Fr= 1--      19.860                 15.966                 -3.745
 CID2   Fr= 1--       3.672                  4.779                 -3.213
 Raman3 Fr= 1--      10.816                  6.682                  2.331
 ROA3   Fr= 1--     125.596                128.378                -16.116
 CID3   Fr= 1--      11.612                 19.214                 -6.913
 RC180  Fr= 1--      -0.145                  0.191                 -0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02   0.00     0.03  -0.02   0.01    -0.01   0.00  -0.00
     2   6     0.00  -0.01   0.00     0.01   0.05  -0.01     0.00   0.03  -0.00
     3   6     0.02   0.00   0.00    -0.06  -0.02  -0.00    -0.02  -0.01   0.00
     4   6     0.06   0.01  -0.02     0.02   0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.00   0.00     0.05  -0.01   0.01     0.02  -0.01   0.01
     6   6    -0.02   0.00  -0.00    -0.03  -0.02   0.00     0.01  -0.00   0.00
     7   6    -0.17  -0.01  -0.01    -0.02  -0.06  -0.02    -0.01   0.04   0.01
     8   6     0.03  -0.01   0.02     0.03   0.07  -0.00    -0.02  -0.06  -0.01
     9   8     0.02  -0.01   0.02    -0.02   0.04   0.01     0.01   0.02  -0.00
    10   6     0.01   0.01  -0.01    -0.08  -0.05  -0.01    -0.07  -0.03  -0.01
    11   1    -0.12   0.09  -0.03     0.02  -0.01   0.00     0.06  -0.07   0.01
    12   1     0.03   0.08  -0.01    -0.03  -0.10   0.01    -0.04  -0.13   0.02
    13   1    -0.17  -0.05  -0.02     0.11   0.03   0.00     0.14   0.03  -0.00
    14   1     0.08   0.03  -0.00    -0.00  -0.01   0.00    -0.12  -0.04  -0.00
    15   1     0.68   0.12  -0.15     0.15   0.22  -0.01    -0.02  -0.10  -0.00
    16   6     0.05  -0.01   0.00    -0.00   0.03   0.01     0.03  -0.09  -0.05
    17   1     0.11   0.49   0.00    -0.04  -0.31   0.02     0.04   0.26  -0.04
    18   1    -0.10  -0.20   0.01    -0.13  -0.52  -0.04     0.11   0.25   0.00
    19   1    -0.04  -0.03   0.02     0.52   0.10   0.08     0.34   0.10   0.01
    20   1    -0.12  -0.03  -0.03     0.38   0.12   0.10     0.28   0.13   0.08
    21   1    -0.17   0.01   0.05    -0.00  -0.12  -0.01    -0.17   0.41   0.04
    22   1     0.04  -0.03  -0.01    -0.02  -0.10  -0.02     0.06   0.33   0.23
    23   1    -0.15   0.09  -0.05     0.04  -0.03  -0.06    -0.20   0.22   0.28
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1421.9702              1484.8278              1490.8747
 Red. masses --      1.2896                 1.5869                 1.1700
 Frc consts  --      1.5363                 2.0614                 1.5322
 IR Inten    --     12.7282                 9.5658                 0.6228
 RamAct Fr= 1--      2.8299                 2.5474                13.0271
  Dep-P Fr= 1--      0.3533                 0.3626                 0.6613
  Dep-U Fr= 1--      0.5221                 0.5323                 0.7961
 Alpha2 Fr= 1--      0.0246                 0.0215                 0.0206
 Beta2  Fr= 1--      0.2463                 0.2260                 1.7285
 AlphaG Fr= 1--      0.0392                -0.0299                -0.0388
 Gamma2 Fr= 1--     -0.6415                -1.3654                -1.7726
 Delta2 Fr= 1--     -0.0973                 2.2931                -2.3150
 Raman1 Fr= 1--      11.320                 10.190                 52.108
 ROA1   Fr= 1--     -64.698                -57.702               -244.245
 CID1   Fr= 1--      -5.716                 -5.663                 -4.687
 Raman2 Fr= 1--       2.955                  2.712                 20.741
 ROA2   Fr= 1--     -14.618                -51.115                -24.021
 CID2   Fr= 1--      -4.946                -18.849                 -1.158
 Raman3 Fr= 1--       5.910                  5.424                 41.483
 ROA3   Fr= 1--     -64.698                -57.702               -244.245
 CID3   Fr= 1--     -10.946                -10.639                 -5.888
 RC180  Fr= 1--       0.044                  0.065                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.00     0.10  -0.05   0.01    -0.04   0.03  -0.01
     2   6     0.00   0.01  -0.00    -0.06  -0.08   0.01     0.03   0.03  -0.00
     3   6    -0.01  -0.01   0.00     0.00   0.06  -0.01    -0.01  -0.03   0.00
     4   6     0.02  -0.00   0.00    -0.07  -0.06   0.00     0.03   0.01   0.00
     5   6     0.01  -0.00   0.00     0.09   0.00   0.01    -0.04   0.02  -0.00
     6   6     0.01   0.00   0.00    -0.05   0.05  -0.01     0.00  -0.03   0.00
     7   6    -0.02   0.04   0.01     0.01   0.02   0.00     0.00  -0.00  -0.00
     8   6    -0.03  -0.09  -0.01     0.00  -0.00   0.00     0.03   0.01  -0.02
     9   8     0.02   0.01  -0.00     0.00  -0.01   0.00     0.01  -0.02   0.00
    10   6    -0.06  -0.03  -0.01    -0.03  -0.05   0.01     0.03  -0.06   0.02
    11   1     0.04  -0.05   0.01    -0.26   0.32  -0.06     0.12  -0.13   0.03
    12   1    -0.02  -0.08   0.01     0.08   0.40  -0.05    -0.01  -0.14   0.02
    13   1     0.01  -0.00   0.00    -0.09   0.05  -0.01     0.09  -0.00   0.01
    14   1    -0.07  -0.02  -0.00     0.12   0.10  -0.01     0.03  -0.02   0.00
    15   1    -0.01  -0.11  -0.01    -0.00  -0.01   0.00    -0.01   0.00  -0.00
    16   6    -0.02   0.07   0.05    -0.02  -0.02   0.01     0.01   0.01  -0.01
    17   1     0.04   0.41   0.01     0.01   0.03   0.01    -0.09  -0.01   0.31
    18   1     0.09   0.40   0.02    -0.02   0.01   0.00    -0.32   0.04   0.00
    19   1     0.26   0.08  -0.00     0.08   0.23  -0.34    -0.10   0.26  -0.50
    20   1     0.21   0.12   0.06    -0.08   0.38   0.12    -0.25   0.50   0.13
    21   1     0.15  -0.37  -0.03     0.33   0.10  -0.06    -0.17  -0.04   0.03
    22   1    -0.05  -0.32  -0.26     0.02   0.05  -0.27    -0.01  -0.00   0.14
    23   1     0.16  -0.20  -0.27    -0.03   0.08   0.19     0.00  -0.04  -0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1497.0047              1505.6821              1507.0240
 Red. masses --      1.1296                 1.1965                 1.0544
 Frc consts  --      1.4915                 1.5983                 1.4109
 IR Inten    --      0.2991                 5.3570                 9.9638
 RamAct Fr= 1--      1.6311                 5.6604                 5.4024
  Dep-P Fr= 1--      0.6035                 0.5463                 0.5913
  Dep-U Fr= 1--      0.7527                 0.7066                 0.7432
 Alpha2 Fr= 1--      0.0044                 0.0221                 0.0160
 Beta2  Fr= 1--      0.2046                 0.6666                 0.6691
 AlphaG Fr= 1--     -0.0056                -0.0308                -0.0249
 Gamma2 Fr= 1--     -0.6612                 4.7193                -0.2266
 Delta2 Fr= 1--     -0.6351                 0.8406                -0.5439
 Raman1 Fr= 1--       6.524                 22.642                 21.610
 ROA1   Fr= 1--     -83.797                479.949                -39.156
 CID1   Fr= 1--     -12.844                 21.198                 -1.812
 Raman2 Fr= 1--       2.456                  7.999                  8.030
 ROA2   Fr= 1--     -10.788                106.537                 -1.087
 CID2   Fr= 1--      -4.393                 13.318                 -0.135
 Raman3 Fr= 1--       4.911                 15.999                 16.059
 ROA3   Fr= 1--     -83.797                479.949                -39.156
 CID3   Fr= 1--     -17.063                 29.999                 -2.438
 RC180  Fr= 1--       0.505                  0.413                  0.486
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00     0.05  -0.01   0.00     0.00   0.01  -0.00
     2   6     0.02   0.04  -0.00    -0.03  -0.04   0.00     0.00  -0.01   0.00
     3   6     0.01  -0.02   0.00    -0.02   0.02  -0.00    -0.01  -0.00  -0.00
     4   6     0.02   0.02  -0.00    -0.03  -0.03   0.00     0.02  -0.01   0.00
     5   6    -0.03  -0.00  -0.00     0.04   0.00   0.00     0.00   0.01  -0.00
     6   6     0.02  -0.02   0.00    -0.01   0.02  -0.00    -0.01  -0.00  -0.00
     7   6    -0.03  -0.02   0.01     0.03   0.02  -0.00    -0.03   0.01  -0.01
     8   6     0.04   0.00  -0.03     0.05  -0.02  -0.04     0.01  -0.01  -0.01
     9   8     0.00  -0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
    10   6     0.00   0.02  -0.01    -0.03   0.02  -0.01    -0.00   0.00  -0.00
    11   1     0.06  -0.09   0.02    -0.08   0.12  -0.02     0.01  -0.00   0.00
    12   1    -0.03  -0.14   0.02     0.03   0.17  -0.02     0.01   0.02  -0.00
    13   1     0.02  -0.02   0.00     0.00   0.03  -0.01    -0.00   0.00   0.01
    14   1    -0.06  -0.04   0.00     0.04   0.04  -0.00     0.03   0.01   0.00
    15   1     0.03   0.04   0.01    -0.07  -0.04   0.01     0.04  -0.04  -0.04
    16   6    -0.03  -0.02   0.02     0.02   0.00  -0.00    -0.03   0.01  -0.04
    17   1    -0.08   0.02   0.33    -0.13   0.04   0.52    -0.02   0.06   0.12
    18   1    -0.34   0.07  -0.01    -0.51   0.18  -0.00    -0.14   0.01  -0.00
    19   1    -0.02  -0.07   0.10     0.05  -0.11   0.23     0.00  -0.03   0.05
    20   1     0.04  -0.11  -0.04     0.13  -0.22  -0.06     0.02  -0.05  -0.02
    21   1     0.52   0.09  -0.10    -0.28  -0.12   0.05     0.06   0.42  -0.01
    22   1     0.05   0.11  -0.49     0.01   0.09   0.22    -0.12  -0.49   0.21
    23   1    -0.15   0.19   0.27    -0.07  -0.05  -0.21     0.54  -0.14   0.38
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1531.2302              1623.3778              1651.4779
 Red. masses --      2.3410                 6.3282                 5.7243
 Frc consts  --      3.2340                 9.8259                 9.1985
 IR Inten    --     17.3230                 1.5700                 1.8715
 RamAct Fr= 1--      0.7549                14.3128                29.7441
  Dep-P Fr= 1--      0.7178                 0.4526                 0.7311
  Dep-U Fr= 1--      0.8357                 0.6232                 0.8447
 Alpha2 Fr= 1--      0.0004                 0.0868                 0.0096
 Beta2  Fr= 1--      0.1052                 1.4866                 4.1873
 AlphaG Fr= 1--      0.0007                 0.0049                 0.0030
 Gamma2 Fr= 1--     -2.0954                -0.5436                 0.6466
 Delta2 Fr= 1--      0.3746                 0.5895                -1.9972
 Raman1 Fr= 1--       3.020                 57.251                118.976
 ROA1   Fr= 1--    -189.174                -33.324                 -1.837
 CID1   Fr= 1--     -62.645                 -0.582                 -0.015
 Raman2 Fr= 1--       1.262                 17.839                 50.248
 ROA2   Fr= 1--     -53.287                -17.763                 31.496
 CID2   Fr= 1--     -42.228                 -0.996                  0.627
 Raman3 Fr= 1--       2.524                 35.678                100.496
 ROA3   Fr= 1--    -189.174                -33.324                 -1.837
 CID3   Fr= 1--     -74.957                 -0.934                 -0.018
 RC180  Fr= 1--       0.671                  0.246                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10  -0.01     0.16  -0.29   0.05     0.22  -0.04   0.02
     2   6     0.06  -0.07   0.01     0.02   0.35  -0.05    -0.17  -0.12   0.01
     3   6    -0.15  -0.05  -0.00    -0.02   0.15  -0.02    -0.33  -0.06  -0.01
     4   6     0.12  -0.10   0.02     0.00  -0.30   0.05     0.20   0.08   0.00
     5   6     0.04   0.15  -0.02    -0.13   0.28  -0.05    -0.24  -0.01  -0.02
     6   6    -0.15  -0.04  -0.00     0.02  -0.16   0.02     0.33   0.10   0.01
     7   6    -0.03   0.03  -0.00     0.01   0.04  -0.01    -0.03  -0.01  -0.00
     8   6    -0.01  -0.01   0.00     0.00  -0.01   0.00    -0.01  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.01   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.02   0.00     0.02  -0.03   0.00     0.04   0.00   0.00
    11   1     0.26  -0.13   0.04    -0.36   0.21  -0.06    -0.08   0.27  -0.04
    12   1     0.15   0.19  -0.02    -0.21  -0.40   0.04    -0.09   0.24  -0.04
    13   1     0.56   0.13   0.01    -0.13   0.13  -0.03     0.42   0.13   0.01
    14   1     0.52   0.14   0.02     0.02  -0.17   0.02    -0.45  -0.10  -0.02
    15   1    -0.05   0.00   0.01    -0.07  -0.02   0.00    -0.00   0.02   0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.00  -0.00     0.00   0.00   0.00
    17   1     0.03   0.04  -0.09     0.02   0.05  -0.02     0.00   0.02  -0.03
    18   1     0.09   0.01   0.00     0.01   0.00   0.01     0.03   0.01   0.00
    19   1    -0.10  -0.12   0.10    -0.15  -0.12   0.05    -0.07  -0.01  -0.04
    20   1    -0.04  -0.14  -0.04    -0.08  -0.09  -0.03    -0.04   0.04   0.01
    21   1     0.09  -0.03  -0.02    -0.01  -0.01  -0.00     0.03  -0.00  -0.00
    22   1     0.02   0.08  -0.11    -0.01   0.00   0.03     0.00  -0.02  -0.05
    23   1    -0.09   0.05   0.01     0.03  -0.04  -0.03    -0.01   0.02   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   2943.1833              2955.3258              3002.0960
 Red. masses --      1.0729                 1.0712                 1.0818
 Frc consts  --      5.4755                 5.5125                 5.7445
 IR Inten    --     46.0850                57.4248                20.8847
 RamAct Fr= 1--    156.0428               171.6973               114.0376
  Dep-P Fr= 1--      0.2048                 0.1007                 0.2262
  Dep-U Fr= 1--      0.3400                 0.1830                 0.3690
 Alpha2 Fr= 1--      2.0921                 3.0007                 1.4433
 Beta2  Fr= 1--      8.8427                 5.2377                 7.0126
 AlphaG Fr= 1--     -3.1162                 0.5067                -0.4083
 Gamma2 Fr= 1--    -18.1716                15.4430                 0.1439
 Delta2 Fr= 1--     -5.5776                 8.1880                -1.7689
 Raman1 Fr= 1--     624.171                686.789                456.151
 ROA1   Fr= 1--   -1922.956               1744.548                -42.796
 CID1   Fr= 1--      -3.081                  2.540                 -0.094
 Raman2 Fr= 1--     106.113                 62.852                 84.151
 ROA2   Fr= 1--    -391.497                305.129                 17.604
 CID2   Fr= 1--      -3.689                  4.855                  0.209
 Raman3 Fr= 1--     212.225                125.704                168.301
 ROA3   Fr= 1--   -1922.956               1744.548                -42.796
 CID3   Fr= 1--      -9.061                 13.878                 -0.254
 RC180  Fr= 1--      -0.320                 -0.634                 -0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.01   0.01  -0.08
     8   6    -0.00  -0.00   0.01     0.01   0.01  -0.07     0.01  -0.00  -0.01
     9   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.01   0.03  -0.07     0.00   0.00  -0.01    -0.00   0.00  -0.00
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.01    -0.03   0.02  -0.16     0.17  -0.12   0.95
    16   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
    17   1     0.03  -0.00   0.01    -0.14   0.03  -0.06    -0.10   0.02  -0.03
    18   1    -0.01   0.02  -0.16     0.02  -0.05   0.96     0.00  -0.01   0.14
    19   1     0.04  -0.08  -0.08     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    20   1    -0.13  -0.27   0.93    -0.01  -0.05   0.15    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00    -0.00   0.00  -0.02    -0.03   0.01  -0.11
    22   1    -0.00  -0.00   0.00     0.02  -0.00   0.00    -0.01  -0.00   0.00
    23   1    -0.00  -0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   3033.7530              3077.7035              3085.3437
 Red. masses --      1.0372                 1.0880                 1.0944
 Frc consts  --      5.6244                 6.0722                 6.1383
 IR Inten    --     30.6994                23.2431                 8.1161
 RamAct Fr= 1--    183.5110               111.1452                75.5931
  Dep-P Fr= 1--      0.0364                 0.3493                 0.1387
  Dep-U Fr= 1--      0.0702                 0.5178                 0.2436
 Alpha2 Fr= 1--      3.7441                 0.9780                 1.2025
 Beta2  Fr= 1--      2.1468                 9.5910                 3.0689
 AlphaG Fr= 1--      0.4000                 1.8370                -0.0437
 Gamma2 Fr= 1--     -0.8646                 5.5470               -20.7053
 Delta2 Fr= 1--     -0.9830                 2.6244               -14.8784
 Raman1 Fr= 1--     734.044                444.581                302.373
 ROA1   Fr= 1--    -114.455                616.494              -2463.814
 CID1   Fr= 1--      -0.156                  1.387                 -8.148
 Raman2 Fr= 1--      25.761                115.092                 36.827
 ROA2   Fr= 1--     -12.886                112.133               -377.899
 CID2   Fr= 1--      -0.500                  0.974                -10.261
 Raman3 Fr= 1--      51.522                230.184                 73.654
 ROA3   Fr= 1--    -114.455                616.494              -2463.814
 CID3   Fr= 1--      -2.221                  2.678                -33.451
 RC180  Fr= 1--      -0.860                  0.036                 -0.513
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.07   0.01  -0.03
     9   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   6     0.00  -0.00   0.00     0.02  -0.06  -0.05     0.00  -0.01  -0.01
    11   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00  -0.00   0.00    -0.00   0.01  -0.00
    14   1     0.00  -0.00   0.00     0.00  -0.03   0.00     0.00  -0.01   0.00
    15   1    -0.01   0.01  -0.05    -0.00   0.00  -0.01     0.00  -0.01   0.02
    16   6    -0.03   0.03   0.03    -0.00  -0.00  -0.00     0.04  -0.00   0.03
    17   1    -0.01   0.00  -0.00    -0.11   0.02  -0.03     0.80  -0.12   0.26
    18   1     0.00   0.00  -0.04     0.00   0.00  -0.02    -0.01  -0.01   0.12
    19   1     0.00  -0.00  -0.00    -0.27   0.79   0.53    -0.03   0.09   0.06
    20   1     0.00   0.00  -0.00    -0.01  -0.04   0.09    -0.00  -0.00   0.00
    21   1    -0.14   0.05  -0.60     0.00  -0.00   0.02    -0.07   0.03  -0.35
    22   1     0.65  -0.10   0.07     0.02  -0.00   0.00    -0.34   0.05  -0.03
    23   1    -0.20  -0.31   0.16     0.00   0.00  -0.00    -0.02  -0.05   0.03
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3091.4980              3111.5536              3154.1730
 Red. masses --      1.0994                 1.0993                 1.0874
 Frc consts  --      6.1906                 6.2706                 6.3741
 IR Inten    --     62.9792                20.7694                10.4515
 RamAct Fr= 1--    180.4194                40.3019                82.7544
  Dep-P Fr= 1--      0.4745                 0.5931                 0.3784
  Dep-U Fr= 1--      0.6436                 0.7446                 0.5490
 Alpha2 Fr= 1--      0.9987                 0.1176                 0.6611
 Beta2  Fr= 1--     19.3540                 5.0014                 7.5722
 AlphaG Fr= 1--     -0.1329                -0.4478                -0.0892
 Gamma2 Fr= 1--     27.2539                -3.6845                -2.2097
 Delta2 Fr= 1--     16.5562                 0.3165                 0.7815
 Raman1 Fr= 1--     721.678                161.208                331.018
 ROA1   Fr= 1--    3146.176               -343.580               -187.125
 CID1   Fr= 1--       4.360                 -2.131                 -0.565
 Raman2 Fr= 1--     232.248                 60.017                 90.866
 ROA2   Fr= 1--     521.645                -90.960                -59.285
 CID2   Fr= 1--       2.246                 -1.516                 -0.652
 Raman3 Fr= 1--     464.497                120.033                181.733
 ROA3   Fr= 1--    3146.176               -343.580               -187.125
 CID3   Fr= 1--       6.773                 -2.862                 -1.030
 RC180  Fr= 1--       0.287                  0.489                  0.098
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02  -0.08   0.01
     7   6    -0.00   0.00  -0.01     0.00  -0.00   0.01    -0.00  -0.00  -0.00
     8   6    -0.04   0.01  -0.02     0.00   0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00  -0.00     0.01   0.01  -0.00    -0.08  -0.08   0.01
    12   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.30  -0.09   0.03
    13   1     0.00  -0.01   0.00     0.02  -0.08   0.01    -0.01   0.05  -0.01
    14   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.23   0.90  -0.14
    15   1     0.02  -0.01   0.11    -0.01   0.01  -0.06     0.00  -0.00   0.00
    16   6    -0.07   0.00  -0.04    -0.04  -0.06   0.06    -0.00  -0.00   0.00
    17   1     0.46  -0.07   0.15    -0.03   0.00  -0.01     0.00  -0.00   0.00
    18   1    -0.01  -0.01   0.09     0.00   0.00  -0.02    -0.00   0.00  -0.00
    19   1    -0.01   0.03   0.02     0.00  -0.00  -0.00    -0.01   0.02   0.01
    20   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    21   1     0.11  -0.04   0.55    -0.10   0.01  -0.37    -0.00   0.00  -0.00
    22   1     0.62  -0.11   0.05     0.16  -0.04   0.03     0.00  -0.00   0.00
    23   1     0.06   0.12  -0.07     0.44   0.71  -0.34     0.00   0.01  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3171.3889              3184.4470              3194.9557
 Red. masses --      1.0866                 1.0911                 1.0965
 Frc consts  --      6.4390                 6.5189                 6.5946
 IR Inten    --      2.2160                23.2652                18.5988
 RamAct Fr= 1--     88.1771                67.2316               285.1590
  Dep-P Fr= 1--      0.6805                 0.6426                 0.0966
  Dep-U Fr= 1--      0.8099                 0.7824                 0.1763
 Alpha2 Fr= 1--      0.1081                 0.1302                 5.0338
 Beta2  Fr= 1--     11.9021                 8.7675                 8.3771
 AlphaG Fr= 1--     -0.0290                -0.0470                 0.5251
 Gamma2 Fr= 1--      0.2025                -2.7869                 6.9196
 Delta2 Fr= 1--     -1.7727                -4.3119                 3.6653
 Raman1 Fr= 1--     352.709                268.927               1140.636
 ROA1   Fr= 1--     -37.291               -405.527                781.566
 CID1   Fr= 1--      -0.106                 -1.508                  0.685
 Raman2 Fr= 1--     142.825                105.210                100.525
 ROA2   Fr= 1--      19.041                -32.392                136.747
 CID2   Fr= 1--       0.133                 -0.308                  1.360
 Raman3 Fr= 1--     285.650                210.419                201.050
 ROA3   Fr= 1--     -37.291               -405.527                781.566
 CID3   Fr= 1--      -0.131                 -1.927                  3.887
 RC180  Fr= 1--       0.620                  0.565                 -0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.04   0.00    -0.00   0.00  -0.00    -0.04  -0.04   0.00
     2   6     0.03  -0.01   0.00     0.06  -0.01   0.01    -0.05   0.01  -0.01
     3   6    -0.01   0.04  -0.01     0.01  -0.06   0.01     0.01  -0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.00     0.00  -0.02   0.00    -0.00   0.01  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.53   0.53  -0.04     0.03   0.02  -0.00     0.46   0.45  -0.04
    12   1    -0.36   0.10  -0.04    -0.66   0.18  -0.07     0.51  -0.14   0.05
    13   1     0.11  -0.46   0.07    -0.16   0.67  -0.11    -0.13   0.50  -0.08
    14   1    -0.06   0.23  -0.04    -0.04   0.19  -0.03     0.03  -0.13   0.02
    15   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.01    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00
    22   1    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    23   1    -0.02  -0.04   0.02     0.03   0.04  -0.02     0.02   0.03  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Molecular mass:   148.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   996.891241706.956472592.86493
           X            0.99875  -0.04963  -0.00662
           Y            0.04959   0.99875  -0.00625
           Z            0.00693   0.00591   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.08688     0.05074     0.03340
 Rotational constants (GHZ):           1.81037     1.05729     0.69604
 Zero-point vibrational energy     518372.1 (Joules/Mol)
                                  123.89391 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    100.88   178.03   289.14   333.10   404.71
          (Kelvin)            456.64   552.24   577.09   625.93   652.18
                              721.48   770.40   851.29   950.30  1044.12
                             1079.58  1110.27  1206.95  1263.91  1309.32
                             1356.02  1382.71  1387.95  1410.33  1474.39
                             1511.09  1537.60  1606.99  1620.57  1648.36
                             1676.85  1710.78  1762.36  1774.98  1804.88
                             1867.82  1891.87  1903.98  1922.57  1963.35
                             1994.39  2031.09  2045.90  2136.34  2145.04
                             2153.86  2166.34  2168.27  2203.10  2335.68
                             2376.11  4234.58  4252.05  4319.35  4364.89
                             4428.13  4439.12  4447.98  4476.83  4538.15
                             4562.92  4581.71  4596.83
 
 Zero-point correction=                           0.197438 (Hartree/Particle)
 Thermal correction to Energy=                    0.206535
 Thermal correction to Enthalpy=                  0.207479
 Thermal correction to Gibbs Free Energy=         0.163309
 Sum of electronic and zero-point Energies=           -463.528572
 Sum of electronic and thermal Energies=              -463.519474
 Sum of electronic and thermal Enthalpies=            -463.518530
 Sum of electronic and thermal Free Energies=         -463.562700
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  129.603             36.702             92.964
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.888
 Rotational               0.889              2.981             29.868
 Vibrational            127.825             30.741             22.207
 Vibration     1          0.598              1.968              4.150
 Vibration     2          0.610              1.929              3.041
 Vibration     3          0.638              1.839              2.124
 Vibration     4          0.653              1.793              1.867
 Vibration     5          0.681              1.708              1.526
 Vibration     6          0.704              1.640              1.324
 Vibration     7          0.753              1.505              1.024
 Vibration     8          0.767              1.468              0.959
 Vibration     9          0.796              1.394              0.842
 Vibration    10          0.812              1.354              0.786
 Vibration    11          0.857              1.247              0.654
 Vibration    12          0.890              1.172              0.575
 Vibration    13          0.949              1.050              0.464
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.764065D-75        -75.116869       -172.962984
 Total V=0       0.498886D+16         15.698001         36.145984
 Vib (Bot)       0.143457D-88        -88.843277       -204.569206
 Vib (Bot)    1  0.294147D+01          0.468564          1.078909
 Vib (Bot)    2  0.165007D+01          0.217502          0.500817
 Vib (Bot)    3  0.991825D+00         -0.003565         -0.008209
 Vib (Bot)    4  0.850166D+00         -0.070496         -0.162323
 Vib (Bot)    5  0.683037D+00         -0.165556         -0.381206
 Vib (Bot)    6  0.593222D+00         -0.226783         -0.522187
 Vib (Bot)    7  0.469794D+00         -0.328093         -0.755462
 Vib (Bot)    8  0.444011D+00         -0.352607         -0.811907
 Vib (Bot)    9  0.398928D+00         -0.399106         -0.918975
 Vib (Bot)   10  0.377304D+00         -0.423309         -0.974705
 Vib (Bot)   11  0.327326D+00         -0.485019         -1.116797
 Vib (Bot)   12  0.297159D+00         -0.527011         -1.213488
 Vib (Bot)   13  0.254524D+00         -0.594271         -1.368359
 Vib (V=0)       0.936685D+02          1.971593          4.539761
 Vib (V=0)    1  0.348366D+01          0.542036          1.248084
 Vib (V=0)    2  0.222416D+01          0.347166          0.799380
 Vib (V=0)    3  0.161073D+01          0.207022          0.476686
 Vib (V=0)    4  0.148630D+01          0.172106          0.396288
 Vib (V=0)    5  0.134649D+01          0.129202          0.297499
 Vib (V=0)    6  0.127583D+01          0.105793          0.243597
 Vib (V=0)    7  0.118608D+01          0.074114          0.170654
 Vib (V=0)    8  0.116869D+01          0.067699          0.155883
 Vib (V=0)    9  0.113964D+01          0.056769          0.130715
 Vib (V=0)   10  0.112638D+01          0.051687          0.119013
 Vib (V=0)   11  0.109761D+01          0.040450          0.093139
 Vib (V=0)   12  0.108164D+01          0.034082          0.078477
 Vib (V=0)   13  0.106105D+01          0.025738          0.059264
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.708333D+08          7.850237         18.075839
 Rotational      0.751918D+06          5.876171         13.530383
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333333 33 22                                                111111111111111111111111111                                         
   11111000 00 99                                                66555444443333322221111100099999 88  777 6  5 5 54443  32 2 2  1    
   98751987 30 54                                                52300998218632195328642165286641 73  752 6  9 3 05308  18 3 0  2 7  
   54142158 42 53                                                13176715226563584459566790505120 89  206 0  2 5 13514  71 2 1  4 0  
 
   XXXXXXXX XX XX                                                XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX  XXX X  X X XXXXX  XX X X  X X  
   XX XXXXX XX XX                                                  XXX  XXXXX    XXX X XXX XX   X     XX  X       X     X            
   XX XXXXX XX XX                                                  XX   XX  X      X X XX   X         XX  X             X            
   XX  XX X XX XX                                                  X     X           X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X XX   X         XX                             
   XX  XX X XX XX                                                  X                 X X    X         XX                             
    X  XX X XX XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                    X X    X         XX                             
        X   X  XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      XX                                                                      X                                             
        X      X                                                                                                                     
        X      X                                                                                                                     
        X      X                                                                                                                     
        X                                                                                                                            
        X                                                                                                                            
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004218    0.000004745    0.000001186
      2        6          -0.000007317   -0.000004185    0.000007188
      3        6           0.000006418    0.000005191   -0.000000002
      4        6          -0.000003848   -0.000018129   -0.000008891
      5        6          -0.000014837    0.000006187    0.000007287
      6        6           0.000005951   -0.000000329    0.000000316
      7        6           0.000013141   -0.000007310   -0.000006620
      8        6           0.000003784    0.000003142   -0.000004274
      9        8          -0.000001841    0.000006961    0.000002894
     10        6           0.000001161   -0.000003390   -0.000004001
     11        1           0.000000120   -0.000000713    0.000000954
     12        1           0.000000159    0.000001738   -0.000000653
     13        1           0.000005766    0.000006870   -0.000003767
     14        1           0.000001115    0.000000981    0.000000294
     15        1           0.000000325    0.000002779   -0.000001671
     16        6           0.000001535   -0.000002629    0.000003609
     17        1           0.000000673   -0.000000673    0.000000325
     18        1          -0.000005606    0.000000359    0.000006161
     19        1           0.000002518   -0.000001241    0.000000665
     20        1           0.000000710    0.000002136   -0.000000428
     21        1          -0.000000854   -0.000002980    0.000000750
     22        1           0.000000353    0.000000064   -0.000000684
     23        1          -0.000005207    0.000000426   -0.000000639
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000018129 RMS     0.000004906
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152727D+03 -0.250477D+01  0.735069D+00
      2  -0.250477D+01  0.135807D+03 -0.468833D+01
      3   0.735069D+00 -0.468833D+01  0.859870D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.489153D+01  0.356968D+00 -0.119974D+02
      2   0.566249D+01 -0.124986D+02 -0.300981D+01
      3   0.783178D+01 -0.462576D+02  0.945612D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.132365D+03  0.748327D+01 -0.659967D+01
      2  -0.714461D+02  0.192666D+02 -0.138459D+02
      3  -0.609194D+02 -0.267498D+02  0.204456D+02
      4   0.570907D+02  0.596379D+02 -0.187079D+02
      5   0.173447D+02 -0.191402D+02 -0.131098D+02
      6  -0.538048D+01  0.132609D+02  0.193781D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128329D+01  0.177469D+01 -0.652533D+00  0.494107D+01 -0.731840D+00
      2   0.177469D+01  0.189570D+01 -0.173852D+00 -0.731840D+00  0.246859D+01
      3  -0.652533D+00 -0.173852D+00  0.189124D+01  0.912485D+00  0.368786D+00
                 6             7             8             9            10 
      1   0.912485D+00 -0.119080D+01  0.603042D+00  0.400972D+01  0.531451D+01
      2   0.368786D+00  0.603042D+00  0.746645D+00  0.329647D+01 -0.973769D+00
      3   0.215003D+01  0.400972D+01  0.329647D+01 -0.856889D+00 -0.273286D+00
                11            12            13            14            15 
      1  -0.973769D+00 -0.273286D+00 -0.176384D+01 -0.182957D+01  0.927795D+00
      2   0.261345D+01  0.782874D-01 -0.182957D+01 -0.279094D+01  0.109835D+00
      3   0.782874D-01  0.257726D+01  0.927795D+00  0.109835D+00 -0.918693D+00
                16            17            18            19            20 
      1  -0.265800D-01  0.983673D+00  0.532458D+01  0.944816D+00 -0.474415D+01
      2   0.983673D+00  0.323568D+00 -0.125860D+01 -0.474415D+01 -0.965633D+00
      3   0.532458D+01 -0.125860D+01  0.109432D+01  0.656005D+00 -0.259834D+00
                21            22            23            24            25 
      1   0.656005D+00  0.475601D+01 -0.107393D+01  0.115331D+00 -0.151331D-03
      2  -0.259834D+00 -0.107393D+01  0.225327D+01  0.582765D+00 -0.280232D+00
      3  -0.942320D+00  0.115331D+00  0.582765D+00  0.170654D+01 -0.129225D+00
                26            27            28            29            30 
      1  -0.280232D+00 -0.129225D+00 -0.140478D+02  0.479260D+01 -0.148362D+01
      2   0.473413D+00  0.365040D+01  0.479260D+01 -0.475826D+01  0.710483D+00
      3   0.365040D+01 -0.166597D+01 -0.148362D+01  0.710483D+00 -0.160293D+01
                31            32            33            34            35 
      1   0.823234D+01  0.236459D+01 -0.265376D+00 -0.132308D+01 -0.644163D+00
      2   0.236459D+01  0.214271D+01  0.204093D+00 -0.644163D+00  0.104651D-01
      3  -0.265376D+00  0.204093D+00  0.599463D-01 -0.293824D+01  0.131417D+01
                36            37            38            39            40 
      1  -0.293824D+01 -0.637155D+00 -0.435499D+01  0.528179D+00 -0.128901D+02
      2   0.131417D+01 -0.435499D+01 -0.695522D+01  0.104382D+01 -0.344258D+01
      3  -0.134182D+01  0.528179D+00  0.104382D+01 -0.146031D+01  0.275479D+00
                41            42            43            44            45 
      1  -0.344258D+01  0.275479D+00  0.210934D+01  0.982327D-01 -0.194382D+01
      2  -0.675216D+01  0.125175D+00  0.982327D-01 -0.219129D+00 -0.296329D+01
      3   0.125175D+00 -0.737803D+00 -0.194382D+01 -0.296329D+01  0.771746D+00
                46            47            48            49            50 
      1  -0.292211D+01  0.360239D+01 -0.562387D+00 -0.442721D+01  0.674185D+00
      2   0.360239D+01  0.306894D+01 -0.805335D-01  0.674185D+00 -0.523795D+00
      3  -0.562387D+00 -0.805335D-01 -0.184260D+00  0.543332D-01 -0.639924D+00
                51            52            53            54            55 
      1   0.543332D-01  0.116902D-01  0.783509D+00  0.162842D+01  0.316126D+01
      2  -0.639924D+00  0.783509D+00 -0.320231D+00 -0.360769D+01 -0.778905D+00
      3  -0.210736D+01  0.162842D+01 -0.360769D+01  0.129388D+01  0.886226D+00
                56            57            58            59            60 
      1  -0.778905D+00  0.886226D+00 -0.124896D+01  0.384384D+01 -0.495405D+00
      2   0.303832D+01 -0.301520D+00  0.384384D+01 -0.161500D+01 -0.158175D+01
      3  -0.301520D+00  0.170961D+01 -0.495405D+00 -0.158175D+01 -0.821902D+00
                61            62            63            64            65 
      1   0.322821D+01 -0.732278D+00  0.289716D+01  0.692653D+01 -0.181860D+01
      2  -0.732278D+00 -0.179787D+01 -0.118832D+01 -0.181860D+01 -0.215101D+01
      3   0.289716D+01 -0.118832D+01  0.801662D+01  0.164678D+01 -0.399486D-01
                66            67            68            69            70 
      1   0.164678D+01 -0.411667D+01 -0.113117D+01  0.674564D+00  0.167789D+01
      2  -0.399486D-01 -0.113117D+01  0.140633D+01  0.108614D+01  0.155810D+00
      3  -0.594860D-01  0.674564D+00  0.108614D+01 -0.610199D+00  0.207241D+01
                71            72            73            74            75 
      1   0.155810D+00  0.207241D+01 -0.524620D+01 -0.145174D+01 -0.140660D+01
      2   0.140232D+01  0.422349D+00 -0.145174D+01  0.656712D+00 -0.129156D+01
      3   0.422349D+00 -0.816374D+01 -0.140660D+01 -0.129156D+01  0.152287D+00
                76            77            78            79            80 
      1   0.630510D+00 -0.148205D+01 -0.753902D+00 -0.158851D+01  0.162432D+00
      2  -0.148205D+01 -0.508091D+01 -0.122041D+01  0.162432D+00 -0.115588D+01
      3  -0.753902D+00 -0.122041D+01  0.222821D+00 -0.181137D+01 -0.209359D+01
                81            82            83            84            85 
      1  -0.181137D+01  0.306697D+01  0.984354D+00  0.119273D+00  0.168950D+01
      2  -0.209359D+01  0.984354D+00 -0.987721D+00 -0.452852D+00  0.293441D+01
      3   0.192513D+00  0.119273D+00 -0.452852D+00 -0.321435D-01 -0.132503D+01
                86            87            88            89            90 
      1   0.293441D+01 -0.132503D+01 -0.122179D+01 -0.291983D+01  0.211143D+01
      2   0.865848D+01  0.184198D+00 -0.291983D+01 -0.142134D+01  0.597726D+01
      3   0.184198D+00  0.235465D+01  0.211143D+01  0.597726D+01 -0.551797D+01
                91            92            93            94            95 
      1   0.705831D+01  0.437264D+01 -0.342579D+00  0.450823D+01  0.442132D+01
      2   0.437264D+01  0.340983D+01 -0.184450D+00  0.442132D+01  0.525513D+01
      3  -0.342579D+00 -0.184450D+00  0.724813D+00 -0.507389D+00 -0.486526D+00
                96            97            98            99           100 
      1  -0.507389D+00 -0.208459D+00 -0.361439D+00  0.304433D-02  0.129505D+02
      2  -0.486526D+00 -0.361439D+00 -0.555816D+00  0.460151D-01 -0.245277D+01
      3   0.744069D+00  0.304433D-02  0.460151D-01 -0.525343D-01  0.100265D+01
               101           102           103           104           105 
      1  -0.245277D+01  0.100265D+01 -0.258549D+01  0.211320D+01 -0.428444D+00
      2   0.129719D+01 -0.169924D+00  0.211320D+01 -0.111106D+01  0.231382D+00
      3  -0.169924D+00  0.104927D+01 -0.428444D+00  0.231382D+00 -0.326053D+00
               106           107           108           109           110 
      1   0.110934D+01 -0.491761D+00  0.681197D-01 -0.102679D+01  0.146712D+01
      2  -0.491761D+00  0.153494D+00 -0.448105D-01  0.146712D+01 -0.976682D+00
      3   0.681197D-01 -0.448105D-01  0.105098D+00 -0.101340D+00  0.152353D+00
               111           112           113           114           115 
      1  -0.101340D+00  0.149363D+01 -0.106227D+01  0.698133D-01 -0.279876D+00
      2   0.152353D+00 -0.106227D+01  0.888727D+01 -0.136415D+01  0.241651D+00
      3  -0.724872D-01  0.698133D-01 -0.136415D+01  0.107865D+01  0.507659D-01
               116           117           118           119           120 
      1   0.241651D+00  0.507659D-01  0.145910D+01 -0.192633D+01  0.282219D+00
      2  -0.150978D+01  0.307487D+00 -0.192633D+01  0.222260D+01 -0.341506D+00
      3   0.307487D+00 -0.307656D+00  0.282219D+00 -0.341506D+00  0.406484D+00
               121           122           123           124           125 
      1  -0.207302D+01  0.295491D+01 -0.410317D+00  0.489415D+00 -0.486102D+00
      2   0.295491D+01 -0.981117D+01  0.124083D+01 -0.486102D+00  0.135435D+01
      3  -0.410317D+00  0.124083D+01 -0.109202D+01  0.185949D+00 -0.352370D+00
               126           127           128           129           130 
      1   0.185949D+00 -0.211020D+01  0.269155D+00 -0.173448D+01  0.760240D+00
      2  -0.352370D+00  0.269155D+00 -0.738340D+00  0.298131D+00 -0.165521D+01
      3   0.255041D+00 -0.173448D+01  0.298131D+00 -0.167974D+01  0.420939D+00
               131           132           133           134           135 
      1  -0.165521D+01  0.420939D+00 -0.483088D+01  0.132845D+01 -0.316135D+01
      2   0.141576D+01 -0.941655D+00  0.132845D+01 -0.167751D+01  0.139545D+01
      3  -0.941655D+00  0.788251D+00 -0.316135D+01  0.139545D+01 -0.848168D+01
               136           137           138           139           140 
      1   0.787263D+01 -0.320103D+01  0.985727D+00 -0.639752D+00 -0.332205D+01
      2  -0.320103D+01 -0.223613D+01  0.880259D-01 -0.332205D+01  0.171958D+00
      3   0.985727D+00  0.880259D-01 -0.167517D+01  0.183550D+00  0.265473D+01
               141           142           143           144           145 
      1   0.183550D+00  0.138750D+01 -0.675530D+00 -0.133491D+01 -0.118905D+02
      2   0.265473D+01 -0.675530D+00  0.349141D+01 -0.352347D+00  0.603704D+00
      3   0.495952D-01 -0.133491D+01 -0.352347D+00 -0.567604D+01 -0.137017D+01
               146           147           148           149           150 
      1   0.603704D+00 -0.137017D+01  0.167643D+01 -0.131949D+01  0.103967D+00
      2  -0.114010D+01  0.244942D-01 -0.131949D+01  0.409772D+00 -0.397888D+00
      3   0.244942D-01 -0.118673D+01  0.103967D+00 -0.397888D+00 -0.407019D-02
               151           152           153           154           155 
      1  -0.293510D+01  0.171510D+00 -0.171986D+01 -0.116543D+01  0.381039D-01
      2   0.171510D+00 -0.744515D+00  0.208317D-01  0.381039D-01  0.383305D+00
      3  -0.171986D+01  0.208317D-01 -0.358077D+00  0.987822D+00  0.268988D-01
               156           157           158           159           160 
      1   0.987822D+00  0.203096D+00 -0.263253D+00 -0.702797D-01  0.230130D+01
      2   0.268988D-01 -0.263253D+00 -0.175281D+00  0.104323D+01 -0.675473D-01
      3   0.269401D+00 -0.702797D-01  0.104323D+01 -0.389115D+00 -0.281107D+01
               161           162           163           164           165 
      1  -0.675473D-01 -0.281107D+01  0.795097D+00 -0.722926D+00 -0.610484D+00
      2   0.172121D+01 -0.179191D+00 -0.722926D+00  0.237006D+01  0.561492D+00
      3  -0.179191D+00  0.794098D+01 -0.610484D+00  0.561492D+00  0.240361D+00
               166           167           168           169           170 
      1  -0.158564D+01 -0.571458D+00  0.202770D+00 -0.964433D+00  0.202095D+00
      2  -0.571458D+00 -0.948146D+01 -0.224388D+01  0.202095D+00 -0.382981D+01
      3   0.202770D+00 -0.224388D+01 -0.169575D+01 -0.216228D+00 -0.273990D+01
               171           172           173           174           175 
      1  -0.216228D+00 -0.139108D+01 -0.970656D+00  0.134435D+01 -0.713347D+00
      2  -0.273990D+01 -0.970656D+00 -0.265419D+00  0.502600D+00 -0.124928D+01
      3  -0.135728D+01  0.134435D+01  0.502600D+00 -0.103718D+01  0.568532D+00
               176           177           178           179           180 
      1  -0.124928D+01  0.568532D+00  0.306769D+01  0.190505D+01 -0.151811D+01
      2  -0.438882D+01  0.218066D+01  0.190505D+01  0.492556D+01 -0.489748D+01
      3   0.218066D+01 -0.170741D+01 -0.151811D+01 -0.489748D+01  0.715385D+01
               181           182           183           184           185 
      1  -0.133283D+00  0.278821D+00  0.663003D+00 -0.362087D+00  0.401372D+00
      2   0.278821D+00  0.754191D+00  0.259628D+00  0.401372D+00  0.188974D+00
      3   0.663003D+00  0.259628D+00  0.128165D+01  0.816191D-01  0.443137D+00
               186           187           188           189           190 
      1   0.816191D-01  0.143309D+01 -0.446492D+00 -0.196326D+00 -0.109702D+02
      2   0.443137D+00 -0.446492D+00  0.188718D+01  0.151164D+01  0.422104D+01
      3  -0.164009D+00 -0.196326D+00  0.151164D+01  0.726416D+01  0.977611D-03
               191           192           193           194           195 
      1   0.422104D+01  0.977611D-03  0.193196D+01 -0.150426D+01  0.125623D-01
      2  -0.309505D+01 -0.227277D+00 -0.150426D+01  0.145030D+01 -0.286120D+00
      3  -0.227277D+00 -0.117422D+01  0.125623D-01 -0.286120D+00  0.205735D+00
               196           197           198           199           200 
      1  -0.111856D+01  0.383653D+00 -0.100282D+01  0.707698D+00  0.991244D+00
      2   0.383653D+00 -0.803923D+00  0.540111D+00  0.991244D+00  0.255929D+01
      3  -0.100282D+01  0.540111D+00  0.180083D+00 -0.565738D+00 -0.222960D+00
               201           202           203           204           205 
      1  -0.565738D+00  0.158315D+01  0.930587D+00 -0.347597D+00 -0.112724D+01
      2  -0.222960D+00  0.930587D+00  0.702204D+01 -0.129264D+01  0.862706D-01
      3   0.804607D+00 -0.347597D+00 -0.129264D+01  0.121410D+01  0.431730D+00
               206           207 
      1   0.862706D-01  0.431730D+00
      2  -0.245383D+01  0.119541D+01
      3   0.119541D+01 -0.488653D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.928348D+00 -0.553699D-01 -0.393219D+01 -0.158473D+01  0.155765D+00
      2  -0.115275D+01 -0.168300D+01  0.425390D+01  0.144837D+01  0.215922D+01
      3  -0.493153D+01 -0.127268D+02  0.114949D+01  0.728562D+01 -0.125776D+01
                 6             7             8             9            10 
      1  -0.517815D+00 -0.816804D+01  0.531081D+01 -0.107816D+01 -0.814373D-01
      2   0.673101D+01  0.528024D+00  0.118032D+02 -0.295933D+01  0.834802D+00
      3  -0.103482D+01 -0.233836D+01 -0.289803D+01 -0.484833D+01  0.340998D+01
                11            12            13            14            15 
      1  -0.184695D+00  0.154326D+01  0.297250D+00  0.257855D+01  0.200040D+01
      2  -0.174648D+00  0.814127D+01  0.304744D+01 -0.112850D+01 -0.304844D+01
      3  -0.104053D+02  0.355985D+00  0.111500D+02  0.691153D+00  0.139286D+01
                16            17            18            19            20 
      1   0.396518D+01  0.112398D+02 -0.150618D+01 -0.219747D+00 -0.447085D-01
      2   0.921731D+01 -0.542095D+01  0.343452D+01  0.257571D+01 -0.209766D+01
      3  -0.307164D+01  0.672186D+00  0.209324D+01  0.705505D+01 -0.517854D+01
                21            22            23            24            25 
      1   0.332771D+01  0.827228D+00  0.182534D+00 -0.315695D+01  0.243776D+01
      2  -0.195806D+01 -0.150303D+01 -0.945830D-01  0.304330D+01 -0.145359D+02
      3   0.176677D+01  0.449884D+01 -0.843519D+01 -0.646904D+00  0.373027D+01
                26            27            28            29            30 
      1   0.804984D+00  0.105194D+01 -0.367465D+00 -0.324288D+00  0.130482D+01
      2   0.437590D+01 -0.240495D+01  0.775578D+00  0.164486D+01 -0.253462D+01
      3  -0.118009D+01 -0.693432D+01 -0.371458D+01  0.136782D+02 -0.198610D+01
                31            32            33            34            35 
      1  -0.142718D+01  0.209248D+01 -0.507722D+00  0.270348D+01  0.104156D+02
      2   0.701436D+00 -0.114582D+01  0.576118D+00 -0.145146D+02  0.104483D+01
      3   0.130597D+02 -0.111023D+02  0.253685D+01  0.827702D+00  0.232884D+01
                36            37            38            39            40 
      1  -0.581958D+00  0.127596D+01  0.170020D+00 -0.825744D+00 -0.324141D+00
      2  -0.125882D+01  0.117908D+00 -0.400817D+00 -0.143241D+01 -0.327789D+01
      3  -0.256055D+01 -0.688935D+01  0.562924D+01 -0.557470D+00  0.110602D+02
                41            42            43            44            45 
      1   0.187368D+01 -0.608515D+00 -0.321742D+01  0.734281D+01 -0.471278D+00
      2   0.217982D+01 -0.118941D+01 -0.148563D+02 -0.140062D-01  0.244813D+00
      3   0.215048D+02 -0.252628D+01 -0.169803D+01 -0.692302D+00  0.401202D+01
                46            47            48            49            50 
      1  -0.130188D+01  0.251229D+00 -0.134441D+01 -0.273993D+00 -0.169192D+00
      2  -0.276042D+00 -0.651337D+00 -0.830378D+00 -0.170893D+01 -0.157787D+01
      3  -0.255451D+00 -0.134068D+02  0.130508D+01 -0.577448D+00  0.441725D+01
                51            52            53            54            55 
      1  -0.286756D+01  0.258712D+01  0.153721D+01  0.108662D+00  0.948170D+00
      2  -0.533400D+01 -0.990619D+01 -0.965040D+01  0.266493D+01  0.298522D+00
      3   0.898817D+00  0.160548D+01  0.111115D+01  0.692269D+01  0.396682D+01
                56            57            58            59            60 
      1   0.700797D+00 -0.239605D+01 -0.179766D+01  0.389727D+01 -0.450709D+00
      2  -0.759109D+00  0.889382D+00  0.199661D+00  0.367826D+01  0.297100D+00
      3  -0.196417D+01 -0.639878D+00  0.133552D+02  0.462179D+01 -0.497913D+01
                61            62            63            64            65 
      1  -0.403163D+01  0.724641D+01 -0.503773D+01 -0.562082D+00  0.431588D+00
      2  -0.755637D+01  0.776085D+00 -0.112694D+02 -0.937234D+01  0.128060D+01
      3   0.254569D+01 -0.689430D+01  0.133448D+01 -0.807577D+01 -0.943709D+01
                66            67            68            69            70 
      1  -0.129306D+00  0.133423D+01 -0.167120D+01  0.155081D+01  0.954143D+00
      2   0.588052D+00 -0.593259D+00 -0.242729D+01  0.186292D+01 -0.876997D+01
      3  -0.282815D+00 -0.865329D+01  0.575037D+01  0.383583D+01 -0.109521D+01
                71            72            73            74            75 
      1   0.163945D+01  0.279713D-01 -0.208807D+01 -0.494642D+00  0.152831D+01
      2  -0.241510D+01  0.200905D+02 -0.709828D-01  0.577632D+00  0.671868D+01
      3   0.240905D+01  0.378706D+00  0.124418D+02 -0.359088D+01  0.157716D+01
                76            77            78            79            80 
      1   0.509575D+00 -0.296160D+00 -0.675006D+01 -0.415740D+01  0.234709D+01
      2   0.106566D+01  0.252770D+01 -0.210763D+01 -0.414035D+01  0.369943D+01
      3   0.786977D+01 -0.128190D+02 -0.411148D+01  0.467147D+01 -0.602471D+01
                81            82            83            84            85 
      1  -0.174472D+01  0.641769D+00 -0.528446D+01 -0.201135D+01 -0.305220D+01
      2   0.104285D+01  0.349721D+01 -0.961933D+00 -0.220220D+01  0.449454D+00
      3  -0.641582D-01 -0.749098D+01 -0.257603D+01 -0.534025D+00  0.700299D+01
                86            87            88            89            90 
      1   0.504783D+01  0.555119D+01  0.751294D+01  0.189594D+02 -0.127517D+02
      2  -0.138513D+01  0.155849D+01 -0.329259D+01 -0.173697D+01  0.168984D+00
      3  -0.303016D+01  0.525653D+01  0.141763D+01  0.103763D+02 -0.746657D+00
                91            92            93            94            95 
      1  -0.598741D-01 -0.329107D+00 -0.253809D+01  0.315869D+00 -0.205378D-02
      2   0.315997D+00  0.277104D+00  0.394661D+01 -0.658611D+00 -0.654657D+00
      3  -0.237111D+01 -0.620001D+01  0.308496D-01 -0.468813D+01 -0.103327D+02
                96            97            98            99           100 
      1  -0.288129D+01  0.121303D+01  0.132309D+01  0.171308D+00  0.208078D+00
      2   0.359482D+01 -0.161740D+01 -0.109953D+01 -0.181926D+00  0.158053D+01
      3   0.604839D+00  0.117979D+01  0.162465D+01  0.551329D-01  0.260916D+01
               101           102           103           104           105 
      1   0.399251D+00  0.123885D+01  0.254757D-01 -0.841385D-01 -0.710928D+00
      2  -0.235812D+00  0.659902D+01 -0.116584D+01  0.582039D+00 -0.184296D+01
      3  -0.616793D+01  0.140310D+00 -0.464944D+01  0.315262D+01 -0.512539D+00
               106           107           108           109           110 
      1  -0.697086D+00  0.519225D+00  0.523518D-01 -0.541866D+00  0.378428D+00
      2  -0.258426D+01  0.563396D+00  0.397685D+00 -0.837644D+00  0.781847D+00
      3   0.170048D+01 -0.942683D+00  0.148109D+00 -0.674392D+01  0.509499D+01
               111           112           113           114           115 
      1   0.640930D+00  0.645806D+00 -0.942068D+00 -0.447786D+01 -0.497602D+00
      2  -0.340554D-01  0.120462D+01 -0.196016D+01  0.673268D+00 -0.138522D+01
      3  -0.187101D+00  0.907158D+01 -0.155019D+02  0.184104D+01 -0.555593D+00
               116           117           118           119           120 
      1   0.212461D+01  0.522225D+00  0.466210D-01 -0.230470D-01  0.135506D+01
      2   0.350793D+00  0.128495D+00  0.428920D+00 -0.435730D+00  0.115575D+01
      3   0.279725D+01 -0.681113D-01  0.168876D+01 -0.201730D+01  0.372176D+00
               121           122           123           124           125 
      1  -0.150927D-01 -0.303773D+00 -0.475496D+01 -0.118819D+00  0.184480D+01
      2  -0.127198D+00  0.231346D+01 -0.292659D+01 -0.113015D+01  0.197940D+00
      3   0.961962D+00  0.170514D+02 -0.207656D+01  0.426606D+00 -0.218920D+01
               126           127           128           129           130 
      1   0.496044D+00  0.202935D+01  0.934327D+00  0.125472D+01  0.101235D+01
      2   0.263133D+00  0.677341D+00 -0.808467D+00  0.303014D+01 -0.102311D+01
      3  -0.916442D-01 -0.206047D+01 -0.361335D+01 -0.127456D+01 -0.182969D+01
               131           132           133           134           135 
      1  -0.461184D+00 -0.176432D+01  0.184439D+01  0.128402D+01  0.695678D+01
      2   0.273626D+00 -0.109801D+01  0.691252D-01 -0.889869D+00  0.111848D+02
      3   0.917037D+00 -0.115559D+01 -0.349186D+01 -0.793114D+00 -0.369104D+00
               136           137           138           139           140 
      1  -0.430913D+01 -0.150300D+01  0.476816D+01  0.388390D+00 -0.112381D+02
      2  -0.546866D+01  0.242062D+01  0.490193D+01  0.181678D+01 -0.410717D+01
      3   0.148879D+02 -0.186026D+02  0.314711D+01 -0.105714D+02 -0.952661D+01
               141           142           143           144           145 
      1  -0.140710D+01  0.214619D+01  0.449700D+01  0.140425D+02 -0.831533D-01
      2  -0.890676D-01  0.275898D+00  0.155183D+01  0.115576D+02  0.493189D+01
      3   0.708362D+01  0.217988D+01  0.662975D+01 -0.470700D+01  0.466920D+01
               146           147           148           149           150 
      1   0.288536D+00  0.291242D-01 -0.134641D+00 -0.107787D+00 -0.755978D+00
      2  -0.973527D-01  0.645245D+01 -0.489838D+00  0.113491D+01 -0.475997D+00
      3  -0.756127D+01  0.579530D+00 -0.220739D+01  0.231083D+01 -0.129727D+01
               151           152           153           154           155 
      1  -0.437157D+00  0.914507D+00 -0.178981D+00 -0.113277D-01  0.635689D+00
      2   0.364520D+01 -0.469194D-01  0.139358D+01 -0.194726D+01  0.140579D+00
      3   0.697108D+00 -0.344882D+01  0.282212D+00  0.141359D+01  0.138484D+01
               156           157           158           159           160 
      1   0.157905D+00  0.448973D-01  0.230280D+00 -0.105470D+01 -0.676414D+00
      2   0.259670D+00  0.112277D+01 -0.280425D+01  0.621284D+00  0.209289D+01
      3  -0.340088D+00  0.201665D+01 -0.225370D+00  0.248595D+01 -0.108731D+01
               161           162           163           164           165 
      1   0.488723D+01  0.122150D+01 -0.129378D+01  0.179463D+01  0.112633D+01
      2   0.968118D+00 -0.199701D+02 -0.246604D+00 -0.671152D+00  0.950791D+00
      3   0.675867D+01  0.950470D+00 -0.287367D+01  0.695679D+00  0.258915D+01
               166           167           168           169           170 
      1  -0.331538D+00 -0.655611D+01 -0.667150D+01 -0.950250D+00 -0.613001D+01
      2  -0.434354D+00  0.140368D+01  0.327720D+00 -0.793899D+00  0.619068D+00
      3   0.544662D+01 -0.601544D+01 -0.281252D+01  0.402777D+01 -0.424341D+01
               171           172           173           174           175 
      1  -0.430190D+01  0.305105D+01  0.800850D+00 -0.215886D+01  0.163886D+01
      2   0.725026D+00  0.134420D+01  0.675822D+00  0.119053D+01  0.317836D+00
      3  -0.160338D+01  0.441052D+01  0.695003D+00 -0.307961D+01  0.175221D+01
               176           177           178           179           180 
      1   0.295741D+01 -0.506852D+01 -0.364995D+01 -0.810295D+01  0.171038D+02
      2  -0.513127D+00  0.660613D+00 -0.252141D+01  0.103600D+01 -0.208434D+01
      3  -0.138094D+01  0.891973D-01 -0.843398D+01 -0.200353D+01 -0.828930D+00
               181           182           183           184           185 
      1  -0.124453D+01  0.383115D+00 -0.314272D+01  0.734841D-01 -0.157214D+01
      2  -0.222562D+01 -0.366052D+00 -0.192844D+01  0.211073D+00 -0.785354D+00
      3   0.882532D+00  0.170993D+01  0.182032D+01  0.121475D+01  0.936096D+00
               186           187           188           189           190 
      1  -0.563338D+00 -0.202820D+00  0.538152D+00 -0.178154D+02  0.773228D+00
      2   0.244503D+00 -0.375712D+01 -0.240799D+01 -0.136780D+02  0.366447D+01
      3   0.720088D+00  0.317780D+01  0.297883D+01  0.364038D+01 -0.191882D+02
               191           192           193           194           195 
      1  -0.335637D+00  0.361606D+01 -0.301935D+00  0.119308D+01 -0.125516D+01
      2  -0.593627D+00  0.540040D+01 -0.987562D+00  0.101550D+01 -0.849499D+00
      3  -0.294311D+00 -0.789761D+00  0.363008D+01 -0.288760D+00 -0.104798D+01
               196           197           198           199           200 
      1   0.174799D+01 -0.216913D+00 -0.464574D+00  0.226177D+01  0.141050D+01
      2   0.982236D+00 -0.727216D+00 -0.342553D+00  0.921809D+00 -0.206556D+00
      3  -0.173223D+01 -0.129442D+01 -0.936703D+00  0.841195D+01  0.694935D+01
               201           202           203           204           205 
      1  -0.341253D+01  0.176273D+01  0.553923D+01 -0.587111D+01 -0.155981D+01
      2  -0.564732D+00  0.384511D+00  0.131572D+01 -0.122955D+01 -0.181466D+01
      3  -0.281701D+01  0.101663D+02  0.173102D+02 -0.417736D+01 -0.468347D+01
               206           207 
      1  -0.242133D+01  0.183212D+01
      2  -0.132521D+01  0.485133D+00
      3  -0.508206D+01  0.394144D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.661814D+00 -0.190189D+02  0.163516D+01  0.298687D+02  0.217876D+01
      2  -0.450377D+01  0.130216D+02  0.159604D+01 -0.291823D+02 -0.699703D+01
      3   0.384195D+01  0.599730D+01 -0.323120D+01 -0.686352D+00  0.481827D+01
      4  -0.187299D+02  0.112099D+02 -0.352571D+01  0.270551D+00 -0.163436D+02
      5   0.564389D+00 -0.395874D+01  0.952202D+01  0.395601D+01  0.747067D+01
      6  -0.119716D+01 -0.110342D+01  0.880717D+01  0.565461D+01  0.288620D+01
                 6             7             8             9            10 
      1   0.107479D+01 -0.831418D+01 -0.154077D+01  0.788678D+01 -0.630071D+01
      2  -0.160797D+01  0.907603D+01  0.366009D+01 -0.128303D+02  0.204636D+01
      3   0.533187D+00 -0.761852D+00 -0.211932D+01  0.494348D+01  0.425436D+01
      4   0.732230D+01  0.616908D+00  0.758494D+01  0.163402D+02  0.873334D+01
      5   0.143663D+02  0.284538D+02  0.174351D+02 -0.615969D+01 -0.632438D+01
      6   0.255523D+01  0.998452D+01  0.125362D+02  0.138475D+01  0.662217D+00
                11            12            13            14            15 
      1   0.526375D+01 -0.443913D+01 -0.159709D+02 -0.215847D+02  0.542694D+01
      2  -0.199334D+01  0.175109D+01  0.149028D+02  0.218399D+02 -0.681055D+01
      3  -0.327041D+01  0.268804D+01  0.106814D+01 -0.255198D+00  0.138362D+01
      4   0.228704D+02  0.446090D+00 -0.222303D+02  0.114565D+02 -0.434756D+01
      5   0.806748D-01  0.179360D+02  0.858923D+01 -0.587698D+01 -0.655517D+01
      6  -0.393737D+00 -0.371164D+01 -0.395649D+01 -0.270729D+01 -0.457591D+01
                16            17            18            19            20 
      1  -0.292387D+01  0.729403D+01  0.175141D+02  0.967102D+01  0.301020D+01
      2  -0.141751D+01 -0.551263D+01 -0.211244D+02 -0.617810D+01 -0.553036D+01
      3   0.434138D+01 -0.178140D+01  0.361033D+01 -0.349292D+01  0.252017D+01
      4   0.102559D+02 -0.168035D+01 -0.454531D+01  0.785159D+01 -0.229462D+02
      5   0.384166D+02 -0.684964D+01  0.685915D+01 -0.156094D+01  0.263984D+01
      6  -0.272554D+01  0.586140D+01  0.279463D+01  0.340668D+00 -0.161556D+01
                21            22            23            24            25 
      1   0.986053D+00  0.616025D+01  0.571259D+01 -0.401800D+01 -0.501180D+00
      2  -0.200839D+01  0.994969D+00 -0.116404D+02  0.525080D+01 -0.301544D+00
      3   0.102233D+01 -0.715521D+01  0.592779D+01 -0.123280D+01  0.802724D+00
      4   0.265114D+01  0.168312D+02  0.108305D+02  0.526215D+00 -0.297216D+01
      5  -0.550244D+01 -0.282294D+01  0.841879D+00  0.436878D+01  0.165520D+01
      6  -0.646843D+01 -0.145485D+01  0.796307D+01  0.642115D+01 -0.384765D+00
                26            27            28            29            30 
      1  -0.224497D+01 -0.147253D+02 -0.343878D+02  0.925057D+01 -0.347226D+00
      2   0.672766D+01  0.214602D+01  0.162513D+02 -0.204834D+01  0.348363D+00
      3  -0.448268D+01  0.125793D+02  0.181365D+02 -0.720222D+01 -0.113642D-02
      4  -0.120290D+01  0.998479D+01 -0.100691D+02  0.589521D+01 -0.305212D+01
      5   0.101198D+02 -0.584697D+01  0.589350D+01 -0.220726D+01 -0.239478D+01
      6   0.151028D+02 -0.374280D+01 -0.229015D+01  0.346941D+00 -0.165231D+01
                31            32            33            34            35 
      1   0.130869D+02  0.143377D+01 -0.191267D+01 -0.637556D+01 -0.165811D+01
      2  -0.543279D+01  0.383891D+01  0.362153D+00  0.328905D+01  0.348748D+01
      3  -0.765412D+01 -0.527269D+01  0.155052D+01  0.308651D+01 -0.182938D+01
      4  -0.501763D+01  0.453527D+01 -0.223754D+01  0.156540D+01 -0.406373D+01
      5   0.204391D-01 -0.932930D+00 -0.274676D+00  0.140078D+01  0.787059D+00
      6  -0.897020D+00 -0.320394D+00  0.120239D+00 -0.217572D+01  0.453736D+01
                36            37            38            39            40 
      1  -0.103455D+02 -0.127760D+02 -0.261398D+02  0.404619D+01 -0.194787D+02
      2  -0.186994D+01  0.132315D+02  0.180173D+02 -0.315503D+01  0.799662D+01
      3   0.122155D+02 -0.455499D+00  0.812251D+01 -0.891153D+00  0.114821D+02
      4  -0.163188D+01 -0.685774D+01  0.399842D-01 -0.241837D+00  0.127941D+01
      5  -0.668537D+00 -0.156682D+01 -0.220463D+01 -0.165870D+01 -0.621259D+00
      6  -0.674302D+00 -0.290458D+01 -0.223502D+01  0.181654D+01  0.925703D+00
                41            42            43            44            45 
      1  -0.144016D+02 -0.896777D+00  0.265068D+01 -0.271625D+01 -0.142978D+02
      2   0.147260D+02 -0.157926D+01 -0.359794D+01  0.261175D+01  0.313651D+01
      3  -0.324456D+00  0.247604D+01  0.947263D+00  0.104501D+00  0.111613D+02
      4  -0.860346D+01  0.150743D+00  0.101418D+01 -0.289093D+01 -0.752474D+00
      5  -0.905293D+00 -0.101994D+01  0.929778D+00 -0.266144D+01 -0.903928D+00
      6  -0.847918D+00  0.703721D+00  0.292749D+01  0.109886D+02 -0.909955D+00
                46            47            48            49            50 
      1   0.107867D+02  0.191436D+02  0.753007D-01 -0.218599D+02  0.147860D+02
      2  -0.107621D+02 -0.133332D+02  0.137545D+01  0.190534D+02 -0.227945D+02
      3  -0.246542D-01 -0.581044D+01 -0.145075D+01  0.280652D+01  0.800846D+01
      4   0.883356D+01 -0.161193D+02  0.355033D+01  0.111717D+02  0.142779D+01
      5  -0.387266D-01  0.504359D+01 -0.340995D+01 -0.548011D+00 -0.325351D+01
      6   0.386693D+01 -0.149773D+01  0.162105D+01 -0.316794D+01  0.755164D+01
                51            52            53            54            55 
      1  -0.241941D+01  0.412991D+01  0.139323D+01 -0.559883D+01  0.225103D+02
      2   0.478828D+01 -0.585226D+01  0.345210D+01 -0.428284D+01 -0.776112D+01
      3  -0.236887D+01  0.172234D+01 -0.484533D+01  0.988167D+01 -0.147492D+02
      4  -0.374226D+01  0.203749D+01 -0.690354D+01 -0.155742D+02 -0.307504D+01
      5  -0.104274D+02  0.103441D+02 -0.159743D+02  0.537872D+01 -0.313821D+01
      6   0.655437D+01 -0.537069D+01  0.138740D+02 -0.896674D+00  0.336436D+01
                56            57            58            59            60 
      1  -0.132959D+02  0.146784D+00 -0.174836D+02 -0.739756D+00  0.327312D+01
      2   0.115175D+02  0.369738D+00  0.160789D+02 -0.164145D+01 -0.671384D+01
      3   0.177838D+01 -0.516522D+00  0.140473D+01  0.238120D+01  0.344072D+01
      4  -0.788632D+01  0.225024D+01 -0.133186D+02  0.981306D+01  0.666447D+01
      5   0.238644D+01 -0.661988D+01  0.287306D+01  0.720280D+01  0.248934D+01
      6   0.217841D+01  0.426640D+01  0.347394D+01 -0.751825D+01 -0.421710D+01
                61            62            63            64            65 
      1   0.119240D+02  0.245567D+00  0.644616D+01 -0.499986D+02  0.960589D+01
      2   0.685158D+01 -0.117862D+02  0.561458D+01  0.280868D+02 -0.704014D+01
      3  -0.187756D+02  0.115406D+02 -0.120607D+02  0.219118D+02 -0.256575D+01
      4   0.943720D+00  0.890119D+01  0.785741D+01  0.104197D+02  0.612150D+01
      5  -0.113334D+02  0.631988D+01 -0.290240D+02 -0.133077D+02  0.865918D+00
      6   0.876842D+01 -0.341921D+01  0.156932D+02 -0.511033D+00 -0.172147D+01
                66            67            68            69            70 
      1  -0.922619D+01  0.200644D+02  0.109508D+02 -0.741526D+00 -0.139188D+02
      2   0.479423D+01 -0.146678D+02 -0.129754D+02  0.459801D+01  0.786862D+00
      3   0.443197D+01 -0.539664D+01  0.202453D+01 -0.385648D+01  0.131319D+02
      4   0.594692D+00 -0.151686D+01 -0.264813D+01 -0.655606D+01 -0.310356D+01
      5  -0.187248D+01 -0.521414D+01 -0.676817D+01  0.569360D+01 -0.121973D+02
      6   0.487570D+00 -0.330215D+01 -0.167036D+01 -0.509536D+01 -0.277168D+01
                71            72            73            74            75 
      1   0.519233D+00  0.245234D+00  0.251382D+02  0.916573D+01 -0.143412D+01
      2   0.573227D+00  0.153814D+02 -0.134561D+02 -0.463816D+01 -0.125181D+01
      3  -0.109246D+01 -0.156267D+02 -0.116822D+02 -0.452757D+01  0.268593D+01
      4  -0.198824D+01 -0.380606D+01  0.142948D+02  0.152348D+02  0.677317D+01
      5  -0.207649D+01  0.384052D+02  0.758328D+01  0.431205D+01  0.112552D+02
      6  -0.643791D+00  0.353194D+01  0.521140D+01  0.676099D+01 -0.525359D+01
                76            77            78            79            80 
      1  -0.797159D+01 -0.109875D+02 -0.111470D+01  0.102678D+02  0.424407D+00
      2   0.895717D+01  0.202481D+02 -0.519760D+00 -0.607782D+01  0.171922D+01
      3  -0.985587D+00 -0.926066D+01  0.163446D+01 -0.418994D+01 -0.214363D+01
      4   0.152950D+02  0.179871D+02  0.656141D+01  0.752496D+01  0.777132D+01
      5   0.526549D+01  0.531776D+01 -0.434894D+01  0.122257D+02  0.712344D+01
      6   0.118678D+01  0.571019D+01  0.115016D+02  0.671428D+01  0.134247D+02
                81            82            83            84            85 
      1  -0.872218D+01 -0.100594D+02 -0.753604D+01 -0.222104D+01  0.138705D+02
      2  -0.477805D+01  0.610608D+01  0.136123D+02  0.610589D+01 -0.936508D+01
      3   0.135002D+02  0.395328D+01 -0.607625D+01 -0.388485D+01 -0.450541D+01
      4   0.942540D+01 -0.996991D+00 -0.753818D+01 -0.378380D+01  0.665369D+00
      5   0.126848D+01 -0.218864D+00 -0.153336D+01 -0.791739D+01  0.289130D+01
      6   0.272220D+01 -0.174459D+01  0.452913D+01  0.432597D+01  0.726243D+01
                86            87            88            89            90 
      1   0.390459D+02  0.120103D+01 -0.174970D+02 -0.830136D+01  0.301304D+02
      2  -0.427524D+02 -0.899831D+01  0.124057D+02 -0.590628D+01 -0.188147D+02
      3   0.370646D+01  0.779727D+01  0.509133D+01  0.142076D+02 -0.113158D+02
      4   0.319119D+01  0.403720D+01  0.351890D+01  0.496798D+01 -0.858224D+01
      5   0.380682D+01 -0.244433D+01 -0.599084D+01 -0.974975D+01  0.949939D+01
      6  -0.653631D+01 -0.159897D+02 -0.117516D+02 -0.365526D+02  0.293791D+02
                91            92            93            94            95 
      1   0.401963D+02  0.210799D+02 -0.187306D+01  0.178959D+02  0.115113D+02
      2  -0.140908D+02 -0.389562D+01  0.923870D+00  0.897345D+00  0.792954D+01
      3  -0.261055D+02 -0.171843D+02  0.949186D+00 -0.187932D+02 -0.194408D+02
      4   0.436564D+02  0.336319D+02 -0.210895D+01  0.394651D+02  0.418154D+02
      5  -0.346959D+01 -0.190466D+01  0.742692D+01 -0.403586D+01 -0.369379D+01
      6  -0.424417D+00 -0.385526D+00  0.342209D+01 -0.182811D+01 -0.179750D+01
                96            97            98            99           100 
      1  -0.140206D+01 -0.174931D+00 -0.507617D+00  0.265534D+00  0.100442D+03
      2   0.491103D+00 -0.927209D+00 -0.739090D+00  0.612765D+00 -0.569766D+02
      3   0.910957D+00  0.110214D+01  0.124671D+01 -0.878299D+00 -0.434652D+02
      4  -0.367965D+01 -0.296834D+01 -0.386720D+01  0.229818D+01 -0.258285D+02
      5   0.572575D+01  0.166889D+01  0.816988D+00 -0.602458D+00  0.104852D+02
      6   0.500539D+01  0.850784D+00  0.153583D+01 -0.910946D+00  0.273191D+00
               101           102           103           104           105 
      1  -0.176693D+02  0.667879D+01 -0.172601D+02  0.123809D+02 -0.213453D+01
      2   0.897554D+01 -0.459763D+01  0.796371D+01 -0.543111D+01  0.160053D+01
      3   0.869372D+01 -0.208116D+01  0.929639D+01 -0.694980D+01  0.533997D+00
      4   0.140446D+02 -0.166290D+01  0.204374D+02 -0.963064D+01  0.179220D+01
      5  -0.186017D+01  0.114835D+02 -0.394084D+01  0.204183D+01 -0.282996D+01
      6   0.354509D+00 -0.138829D+01  0.104877D+01 -0.409308D+00  0.213615D+01
               106           107           108           109           110 
      1   0.842685D+01 -0.296891D+01  0.259609D+01 -0.414966D+01  0.485666D+01
      2  -0.471892D+01  0.182712D+01 -0.154181D+01  0.559827D+01 -0.459346D+01
      3  -0.370793D+01  0.114179D+01 -0.105428D+01 -0.144861D+01 -0.263206D+00
      4  -0.402461D+01  0.202076D+01 -0.146663D+01 -0.160388D+01  0.668649D+01
      5   0.280200D+01 -0.541077D+00  0.151838D+01 -0.624279D+00 -0.130189D+00
      6  -0.368385D+00  0.908753D+00 -0.569158D+00 -0.830962D+00  0.126513D+01
               111           112           113           114           115 
      1  -0.125945D+01  0.497584D+01 -0.341960D+02  0.583867D+01 -0.720907D+00
      2   0.593191D+00 -0.508053D+01  0.470477D+02 -0.548719D+01  0.557916D+00
      3   0.666261D+00  0.104690D+00 -0.128517D+02 -0.351472D+00  0.162991D+00
      4  -0.372301D+00  0.610827D+01  0.133899D+02 -0.266082D+01 -0.550986D+00
      5   0.969893D+00 -0.236751D+00 -0.334038D+01  0.193992D+01  0.762288D+00
      6  -0.672053D+00  0.361039D+00 -0.990795D+01  0.840203D+01 -0.879375D-01
               116           117           118           119           120 
      1   0.555296D+01 -0.251919D+01  0.323672D+01 -0.333565D+01  0.360945D+00
      2  -0.686318D+01  0.262451D+01  0.268780D+01 -0.360632D+01  0.936293D-02
      3   0.131022D+01 -0.105319D+00 -0.592452D+01  0.694197D+01 -0.370308D+00
      4  -0.173921D+01 -0.570560D+00 -0.133075D+02  0.180188D+02 -0.250970D+01
      5   0.444519D-01  0.403250D+00  0.210567D+01 -0.265822D+01  0.327807D+01
      6   0.405758D+01 -0.239825D+01 -0.148155D+01  0.189293D+01 -0.215778D+01
               121           122           123           124           125 
      1   0.896012D-01 -0.201621D+02  0.281062D+01  0.376280D-01  0.212202D+01
      2  -0.838546D+01  0.403180D+02 -0.347558D+01  0.122496D+01 -0.397837D+01
      3   0.829586D+01 -0.201558D+02  0.664953D+00 -0.126259D+01  0.185635D+01
      4   0.208844D+02 -0.454244D+02  0.563804D+01 -0.373916D+01  0.651623D+01
      5  -0.282820D+01  0.572890D+01 -0.525859D+01  0.153494D+01 -0.162000D+01
      6   0.280829D+01 -0.838417D+01  0.836853D+01 -0.163911D+01  0.417270D+01
               126           127           128           129           130 
      1  -0.219375D+01  0.296391D+01  0.120575D+01  0.253624D+01  0.281856D+01
      2   0.278025D+01 -0.636650D+01 -0.142784D+01 -0.400801D+01 -0.333682D+01
      3  -0.586492D+00  0.340259D+01  0.222092D+00  0.147177D+01  0.518267D+00
      4  -0.198425D+01 -0.250511D+01  0.620360D+01 -0.331156D+01  0.811987D+01
      5   0.102307D+01  0.878933D+01 -0.223406D+01  0.132141D+02 -0.185487D+01
      6  -0.239581D+01 -0.420506D+01  0.774177D+00 -0.310484D+01  0.178566D+01
               131           132           133           134           135 
      1  -0.438217D+01  0.146881D+01 -0.171010D+01  0.454151D+01 -0.153570D+02
      2   0.211683D+01 -0.108585D+01 -0.776481D+01 -0.536253D+00 -0.166198D+02
      3   0.226534D+01 -0.382964D+00  0.947491D+01 -0.400526D+01  0.319767D+02
      4  -0.641650D+01  0.351533D+01 -0.730260D+01  0.641458D+01 -0.609157D+01
      5   0.329203D+01 -0.276631D+01  0.178556D+02 -0.603827D+01  0.303765D+02
      6  -0.220036D+01  0.865642D+01 -0.776119D+01  0.749817D+01 -0.185353D+02
               136           137           138           139           140 
      1  -0.317426D+02  0.275675D+02 -0.146426D+01  0.239856D+02  0.781313D+01
      2   0.650903D+01 -0.254527D+02  0.563288D+01 -0.244849D+02 -0.123491D+02
      3   0.252336D+02 -0.211474D+01 -0.416862D+01  0.499341D+00  0.453596D+01
      4   0.395190D+02 -0.748703D+01  0.198282D+01  0.351244D+01 -0.118888D+02
      5  -0.315900D+00 -0.224298D+01  0.652996D+01 -0.179087D+01 -0.105614D+02
      6   0.493657D+01 -0.358666D+00 -0.766040D+01 -0.191645D+01  0.173559D+02
               141           142           143           144           145 
      1  -0.102325D+02 -0.318023D+01 -0.881450D+01  0.138872D+02  0.798008D+02
      2   0.158958D+02  0.338909D+00  0.190861D+02  0.328587D+01 -0.456898D+02
      3  -0.566326D+01  0.284132D+01 -0.102716D+02 -0.171731D+02 -0.341110D+02
      4  -0.669817D+01  0.596009D+01 -0.105880D+02 -0.747341D+01 -0.198006D+00
      5   0.413473D+00  0.632881D+01 -0.768462D+00  0.167009D+02  0.106102D+02
      6   0.283577D+01 -0.742166D+01  0.835463D+00 -0.234704D+02  0.808797D+00
               146           147           148           149           150 
      1  -0.437964D+01  0.910978D+01 -0.104321D+02  0.676144D+01 -0.416155D+00
      2   0.291751D+01 -0.524616D+01  0.624920D+01 -0.220906D+01  0.827239D+00
      3   0.146213D+01 -0.386362D+01  0.418292D+01 -0.455238D+01 -0.411084D+00
      4   0.983057D+01  0.375322D-01  0.118568D+02 -0.254014D+01  0.241316D+01
      5  -0.332157D+00  0.106462D+02 -0.810942D+00  0.274279D+01 -0.674915D+00
      6   0.397811D+00  0.290488D+00  0.593523D+00  0.240966D+00  0.156734D+01
               151           152           153           154           155 
      1   0.162170D+02 -0.996043D+00  0.812234D+01  0.793049D+01 -0.236704D+00
      2  -0.104214D+02  0.910400D+00 -0.750552D+01 -0.644755D+01  0.905276D-01
      3  -0.579558D+01  0.856427D-01 -0.616820D+00 -0.148294D+01  0.146177D+00
      4  -0.510044D+00  0.405108D+01  0.187516D+00  0.696183D+00 -0.865980D+00
      5   0.139943D+02 -0.392233D+00  0.438230D+01 -0.555654D+01 -0.194225D+00
      6   0.472386D+00  0.972982D+00 -0.959513D-01 -0.878879D+00 -0.531499D-01
               156           157           158           159           160 
      1  -0.479266D+01 -0.983692D-01 -0.342092D+01  0.178727D+01 -0.867911D+01
      2   0.278274D+01  0.388059D+00  0.741714D+00 -0.691473D+00  0.119850D+02
      3   0.200992D+01 -0.289690D+00  0.267920D+01 -0.109580D+01 -0.330591D+01
      4  -0.102387D+01  0.305045D+01  0.108390D+01 -0.495939D+01 -0.129078D+01
      5   0.372242D+01 -0.211851D-01 -0.478576D+01  0.149847D+01  0.189981D+02
      6   0.393314D-01 -0.168267D+01 -0.152535D+01  0.782117D+01  0.225506D+01
               161           162           163           164           165 
      1   0.700256D+00 -0.453017D+01 -0.118846D+01  0.964213D+01  0.352657D+01
      2  -0.951659D+00 -0.209372D+02  0.377567D+01 -0.138005D+02 -0.334448D+01
      3   0.251402D+00  0.254674D+02 -0.258720D+01  0.415841D+01 -0.182082D+00
      4  -0.834861D+01  0.278316D+01 -0.268883D+01  0.915631D+01  0.320022D+01
      5   0.112864D+01 -0.389332D+02 -0.154670D+00  0.131105D+01  0.256534D+01
      6   0.454814D+01 -0.608590D+01  0.402265D+01 -0.421337D+01 -0.194156D+01
               166           167           168           169           170 
      1  -0.929801D+00 -0.400028D+02 -0.968468D+01  0.224844D+01 -0.168061D+02
      2   0.910487D+00  0.585430D+02  0.142621D+02 -0.836486D+00  0.231440D+02
      3   0.193141D-01 -0.185402D+02 -0.457739D+01 -0.141195D+01 -0.633797D+01
      4   0.663678D+01  0.197340D+01 -0.296584D+00  0.397404D+01  0.373370D+00
      5   0.676154D+00  0.101736D+01  0.137617D+01  0.247999D+01  0.228942D+01
      6  -0.369449D+00  0.178587D+02  0.127673D+02  0.204239D+01  0.197020D+02
               171           172           173           174           175 
      1  -0.128326D+02  0.133519D+00  0.724198D-01  0.592872D+00 -0.328474D+01
      2   0.121281D+02 -0.173883D+01 -0.604925D+00  0.657634D+00  0.395513D+01
      3   0.704487D+00  0.160531D+01  0.532505D+00 -0.125051D+01 -0.670387D+00
      4   0.805997D+00  0.510229D+01  0.714971D+01 -0.569347D+01  0.408674D+01
      5  -0.157243D+00 -0.419040D+01 -0.382030D+01  0.870712D+01 -0.204212D+01
      6   0.962112D+01 -0.697365D+01 -0.363834D+01  0.490082D+01 -0.373035D+01
               176           177           178           179           180 
      1  -0.196868D+02  0.917641D+01  0.487843D+01  0.234210D+02 -0.284235D+02
      2   0.210490D+02 -0.830561D+01 -0.268754D+01 -0.158078D+02  0.874363D+01
      3  -0.136219D+01 -0.870802D+00 -0.219088D+01 -0.761325D+01  0.196799D+02
      4   0.604343D+01 -0.417618D+01 -0.964391D+01 -0.798031D+01  0.778350D+01
      5  -0.425924D+01  0.323413D+01  0.803871D+01  0.930526D+01 -0.121355D+02
      6  -0.144674D+02  0.145962D+02  0.903917D+01  0.316649D+02 -0.386902D+02
               181           182           183           184           185 
      1   0.107861D+01 -0.506938D+01 -0.530516D+01 -0.157897D+01 -0.412272D+01
      2  -0.157830D+01  0.517511D+01  0.156903D+00  0.127391D+01  0.307975D+01
      3   0.499693D+00 -0.105728D+00  0.514825D+01  0.305059D+00  0.104297D+01
      4  -0.170469D+01  0.569909D+00  0.278105D+01  0.116542D+00  0.130090D+01
      5  -0.999200D+00  0.406755D+00  0.343012D+00 -0.454638D+00 -0.646878D+00
      6   0.241907D+01  0.217088D+01  0.577623D+01  0.293218D+00  0.188048D+01
               186           187           188           189           190 
      1  -0.129314D+01 -0.423093D+01 -0.708182D+01 -0.196138D+02  0.515594D+02
      2   0.285752D+01  0.115429D+01  0.653637D+01 -0.784911D+01 -0.164217D+02
      3  -0.156438D+01  0.307665D+01  0.545455D+00  0.274629D+02 -0.351377D+02
      4  -0.105598D+01  0.749612D+01 -0.652565D+01 -0.860434D-01 -0.555178D+02
      5   0.683504D+00  0.576773D+01 -0.471552D+01 -0.215810D+02 -0.511302D+01
      6   0.449970D+01 -0.737172D+00  0.116066D+02  0.329636D+02  0.395977D+00
               191           192           193           194           195 
      1  -0.118096D+02  0.166216D+01 -0.572312D+01  0.275552D+01  0.769219D+00
      2  -0.404897D+01 -0.456620D+00 -0.291213D+01  0.586137D+01 -0.161145D+01
      3   0.158586D+02 -0.120554D+01  0.863525D+01 -0.861690D+01  0.842230D+00
      4   0.309774D+02 -0.332973D-01  0.175347D+02 -0.125156D+02  0.863852D+00
      5   0.224679D+01  0.945923D+01  0.949162D+00  0.529307D+00 -0.166760D+01
      6  -0.208202D+01 -0.682410D+01 -0.818582D+00 -0.691441D+00  0.217025D+01
               196           197           198           199           200 
      1   0.341653D+01  0.101421D+01  0.274892D+01 -0.187116D+01 -0.147130D+02
      2  -0.129777D+01 -0.319588D+01 -0.232813D+01  0.586072D+01  0.203564D+02
      3  -0.211876D+01  0.218166D+01 -0.420789D+00 -0.398956D+01 -0.564349D+01
      4  -0.419721D+01  0.329719D+01 -0.484007D+01  0.147143D+01  0.100935D+01
      5   0.874991D+01 -0.356547D+01 -0.361777D-01  0.128284D+01  0.129952D+01
      6  -0.501105D+01  0.356292D+01  0.991233D+00 -0.285980D+01 -0.137291D+01
               201           202           203           204           205 
      1   0.198556D+01 -0.907429D+01 -0.321814D+02  0.656482D+01  0.353954D+01
      2  -0.351930D+01  0.988642D+01  0.525270D+02 -0.102977D+02 -0.225912D+01
      3   0.153374D+01 -0.812133D+00 -0.203456D+02  0.373291D+01 -0.128042D+01
      4  -0.163611D+01  0.748717D+01 -0.113417D+02  0.166035D+01 -0.460434D+01
      5  -0.169650D+01  0.200179D+01  0.503213D+01 -0.352155D+01 -0.159094D+00
      6   0.508134D+01 -0.153483D+01 -0.715142D+01  0.918255D+01  0.264728D+01
               206           207 
      1   0.953350D+01 -0.800775D+01
      2  -0.153327D+02  0.670339D+01
      3   0.579918D+01  0.130436D+01
      4   0.588003D+01 -0.614005D-01
      5  -0.292211D+01  0.968301D+00
      6   0.903183D+01 -0.439462D+01
 Leave Link  716 at Fri Jul 16 21:09:15 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.152727D+03 -0.250477D+01  0.735069D+00
      2  -0.250477D+01  0.135807D+03 -0.468833D+01
      3   0.735069D+00 -0.468833D+01  0.859870D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.489153D+01  0.356968D+00 -0.119974D+02
      2   0.566249D+01 -0.124986D+02 -0.300981D+01
      3   0.783178D+01 -0.462576D+02  0.945612D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.132365D+03  0.748327D+01 -0.659967D+01
      2  -0.714461D+02  0.192666D+02 -0.138459D+02
      3  -0.609194D+02 -0.267498D+02  0.204456D+02
      4   0.570907D+02  0.596379D+02 -0.187079D+02
      5   0.173447D+02 -0.191402D+02 -0.131098D+02
      6  -0.538048D+01  0.132609D+02  0.193781D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    69 ND12= 1 LenFil=    2487:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.128329D+01  0.177469D+01 -0.652533D+00  0.494107D+01 -0.731840D+00
      2   0.177469D+01  0.189570D+01 -0.173852D+00 -0.731840D+00  0.246859D+01
      3  -0.652533D+00 -0.173852D+00  0.189124D+01  0.912485D+00  0.368786D+00
                 6             7             8             9            10 
      1   0.912485D+00 -0.119080D+01  0.603042D+00  0.400972D+01  0.531451D+01
      2   0.368786D+00  0.603042D+00  0.746645D+00  0.329647D+01 -0.973769D+00
      3   0.215003D+01  0.400972D+01  0.329647D+01 -0.856889D+00 -0.273286D+00
                11            12            13            14            15 
      1  -0.973769D+00 -0.273286D+00 -0.176384D+01 -0.182957D+01  0.927795D+00
      2   0.261345D+01  0.782874D-01 -0.182957D+01 -0.279094D+01  0.109835D+00
      3   0.782874D-01  0.257726D+01  0.927795D+00  0.109835D+00 -0.918693D+00
                16            17            18            19            20 
      1  -0.265800D-01  0.983673D+00  0.532458D+01  0.944816D+00 -0.474415D+01
      2   0.983673D+00  0.323568D+00 -0.125860D+01 -0.474415D+01 -0.965633D+00
      3   0.532458D+01 -0.125860D+01  0.109432D+01  0.656005D+00 -0.259834D+00
                21            22            23            24            25 
      1   0.656005D+00  0.475601D+01 -0.107393D+01  0.115331D+00 -0.151331D-03
      2  -0.259834D+00 -0.107393D+01  0.225327D+01  0.582765D+00 -0.280232D+00
      3  -0.942320D+00  0.115331D+00  0.582765D+00  0.170654D+01 -0.129225D+00
                26            27            28            29            30 
      1  -0.280232D+00 -0.129225D+00 -0.140478D+02  0.479260D+01 -0.148362D+01
      2   0.473413D+00  0.365040D+01  0.479260D+01 -0.475826D+01  0.710483D+00
      3   0.365040D+01 -0.166597D+01 -0.148362D+01  0.710483D+00 -0.160293D+01
                31            32            33            34            35 
      1   0.823234D+01  0.236459D+01 -0.265376D+00 -0.132308D+01 -0.644163D+00
      2   0.236459D+01  0.214271D+01  0.204093D+00 -0.644163D+00  0.104651D-01
      3  -0.265376D+00  0.204093D+00  0.599463D-01 -0.293824D+01  0.131417D+01
                36            37            38            39            40 
      1  -0.293824D+01 -0.637155D+00 -0.435499D+01  0.528179D+00 -0.128901D+02
      2   0.131417D+01 -0.435499D+01 -0.695522D+01  0.104382D+01 -0.344258D+01
      3  -0.134182D+01  0.528179D+00  0.104382D+01 -0.146031D+01  0.275479D+00
                41            42            43            44            45 
      1  -0.344258D+01  0.275479D+00  0.210934D+01  0.982327D-01 -0.194382D+01
      2  -0.675216D+01  0.125175D+00  0.982327D-01 -0.219129D+00 -0.296329D+01
      3   0.125175D+00 -0.737803D+00 -0.194382D+01 -0.296329D+01  0.771746D+00
                46            47            48            49            50 
      1  -0.292211D+01  0.360239D+01 -0.562387D+00 -0.442721D+01  0.674185D+00
      2   0.360239D+01  0.306894D+01 -0.805335D-01  0.674185D+00 -0.523795D+00
      3  -0.562387D+00 -0.805335D-01 -0.184260D+00  0.543332D-01 -0.639924D+00
                51            52            53            54            55 
      1   0.543332D-01  0.116902D-01  0.783509D+00  0.162842D+01  0.316126D+01
      2  -0.639924D+00  0.783509D+00 -0.320231D+00 -0.360769D+01 -0.778905D+00
      3  -0.210736D+01  0.162842D+01 -0.360769D+01  0.129388D+01  0.886226D+00
                56            57            58            59            60 
      1  -0.778905D+00  0.886226D+00 -0.124896D+01  0.384384D+01 -0.495405D+00
      2   0.303832D+01 -0.301520D+00  0.384384D+01 -0.161500D+01 -0.158175D+01
      3  -0.301520D+00  0.170961D+01 -0.495405D+00 -0.158175D+01 -0.821902D+00
                61            62            63            64            65 
      1   0.322821D+01 -0.732278D+00  0.289716D+01  0.692653D+01 -0.181860D+01
      2  -0.732278D+00 -0.179787D+01 -0.118832D+01 -0.181860D+01 -0.215101D+01
      3   0.289716D+01 -0.118832D+01  0.801662D+01  0.164678D+01 -0.399486D-01
                66            67            68            69            70 
      1   0.164678D+01 -0.411667D+01 -0.113117D+01  0.674564D+00  0.167789D+01
      2  -0.399486D-01 -0.113117D+01  0.140633D+01  0.108614D+01  0.155810D+00
      3  -0.594860D-01  0.674564D+00  0.108614D+01 -0.610199D+00  0.207241D+01
                71            72            73            74            75 
      1   0.155810D+00  0.207241D+01 -0.524620D+01 -0.145174D+01 -0.140660D+01
      2   0.140232D+01  0.422349D+00 -0.145174D+01  0.656712D+00 -0.129156D+01
      3   0.422349D+00 -0.816374D+01 -0.140660D+01 -0.129156D+01  0.152287D+00
                76            77            78            79            80 
      1   0.630510D+00 -0.148205D+01 -0.753902D+00 -0.158851D+01  0.162432D+00
      2  -0.148205D+01 -0.508091D+01 -0.122041D+01  0.162432D+00 -0.115588D+01
      3  -0.753902D+00 -0.122041D+01  0.222821D+00 -0.181137D+01 -0.209359D+01
                81            82            83            84            85 
      1  -0.181137D+01  0.306697D+01  0.984354D+00  0.119273D+00  0.168950D+01
      2  -0.209359D+01  0.984354D+00 -0.987721D+00 -0.452852D+00  0.293441D+01
      3   0.192513D+00  0.119273D+00 -0.452852D+00 -0.321435D-01 -0.132503D+01
                86            87            88            89            90 
      1   0.293441D+01 -0.132503D+01 -0.122179D+01 -0.291983D+01  0.211143D+01
      2   0.865848D+01  0.184198D+00 -0.291983D+01 -0.142134D+01  0.597726D+01
      3   0.184198D+00  0.235465D+01  0.211143D+01  0.597726D+01 -0.551797D+01
                91            92            93            94            95 
      1   0.705831D+01  0.437264D+01 -0.342579D+00  0.450823D+01  0.442132D+01
      2   0.437264D+01  0.340983D+01 -0.184450D+00  0.442132D+01  0.525513D+01
      3  -0.342579D+00 -0.184450D+00  0.724813D+00 -0.507389D+00 -0.486526D+00
                96            97            98            99           100 
      1  -0.507389D+00 -0.208459D+00 -0.361439D+00  0.304433D-02  0.129505D+02
      2  -0.486526D+00 -0.361439D+00 -0.555816D+00  0.460151D-01 -0.245277D+01
      3   0.744069D+00  0.304433D-02  0.460151D-01 -0.525343D-01  0.100265D+01
               101           102           103           104           105 
      1  -0.245277D+01  0.100265D+01 -0.258549D+01  0.211320D+01 -0.428444D+00
      2   0.129719D+01 -0.169924D+00  0.211320D+01 -0.111106D+01  0.231382D+00
      3  -0.169924D+00  0.104927D+01 -0.428444D+00  0.231382D+00 -0.326053D+00
               106           107           108           109           110 
      1   0.110934D+01 -0.491761D+00  0.681197D-01 -0.102679D+01  0.146712D+01
      2  -0.491761D+00  0.153494D+00 -0.448105D-01  0.146712D+01 -0.976682D+00
      3   0.681197D-01 -0.448105D-01  0.105098D+00 -0.101340D+00  0.152353D+00
               111           112           113           114           115 
      1  -0.101340D+00  0.149363D+01 -0.106227D+01  0.698133D-01 -0.279876D+00
      2   0.152353D+00 -0.106227D+01  0.888727D+01 -0.136415D+01  0.241651D+00
      3  -0.724872D-01  0.698133D-01 -0.136415D+01  0.107865D+01  0.507659D-01
               116           117           118           119           120 
      1   0.241651D+00  0.507659D-01  0.145910D+01 -0.192633D+01  0.282219D+00
      2  -0.150978D+01  0.307487D+00 -0.192633D+01  0.222260D+01 -0.341506D+00
      3   0.307487D+00 -0.307656D+00  0.282219D+00 -0.341506D+00  0.406484D+00
               121           122           123           124           125 
      1  -0.207302D+01  0.295491D+01 -0.410317D+00  0.489415D+00 -0.486102D+00
      2   0.295491D+01 -0.981117D+01  0.124083D+01 -0.486102D+00  0.135435D+01
      3  -0.410317D+00  0.124083D+01 -0.109202D+01  0.185949D+00 -0.352370D+00
               126           127           128           129           130 
      1   0.185949D+00 -0.211020D+01  0.269155D+00 -0.173448D+01  0.760240D+00
      2  -0.352370D+00  0.269155D+00 -0.738340D+00  0.298131D+00 -0.165521D+01
      3   0.255041D+00 -0.173448D+01  0.298131D+00 -0.167974D+01  0.420939D+00
               131           132           133           134           135 
      1  -0.165521D+01  0.420939D+00 -0.483088D+01  0.132845D+01 -0.316135D+01
      2   0.141576D+01 -0.941655D+00  0.132845D+01 -0.167751D+01  0.139545D+01
      3  -0.941655D+00  0.788251D+00 -0.316135D+01  0.139545D+01 -0.848168D+01
               136           137           138           139           140 
      1   0.787263D+01 -0.320103D+01  0.985727D+00 -0.639752D+00 -0.332205D+01
      2  -0.320103D+01 -0.223613D+01  0.880259D-01 -0.332205D+01  0.171958D+00
      3   0.985727D+00  0.880259D-01 -0.167517D+01  0.183550D+00  0.265473D+01
               141           142           143           144           145 
      1   0.183550D+00  0.138750D+01 -0.675530D+00 -0.133491D+01 -0.118905D+02
      2   0.265473D+01 -0.675530D+00  0.349141D+01 -0.352347D+00  0.603704D+00
      3   0.495952D-01 -0.133491D+01 -0.352347D+00 -0.567604D+01 -0.137017D+01
               146           147           148           149           150 
      1   0.603704D+00 -0.137017D+01  0.167643D+01 -0.131949D+01  0.103967D+00
      2  -0.114010D+01  0.244942D-01 -0.131949D+01  0.409772D+00 -0.397888D+00
      3   0.244942D-01 -0.118673D+01  0.103967D+00 -0.397888D+00 -0.407019D-02
               151           152           153           154           155 
      1  -0.293510D+01  0.171510D+00 -0.171986D+01 -0.116543D+01  0.381039D-01
      2   0.171510D+00 -0.744515D+00  0.208317D-01  0.381039D-01  0.383305D+00
      3  -0.171986D+01  0.208317D-01 -0.358077D+00  0.987822D+00  0.268988D-01
               156           157           158           159           160 
      1   0.987822D+00  0.203096D+00 -0.263253D+00 -0.702797D-01  0.230130D+01
      2   0.268988D-01 -0.263253D+00 -0.175281D+00  0.104323D+01 -0.675473D-01
      3   0.269401D+00 -0.702797D-01  0.104323D+01 -0.389115D+00 -0.281107D+01
               161           162           163           164           165 
      1  -0.675473D-01 -0.281107D+01  0.795097D+00 -0.722926D+00 -0.610484D+00
      2   0.172121D+01 -0.179191D+00 -0.722926D+00  0.237006D+01  0.561492D+00
      3  -0.179191D+00  0.794098D+01 -0.610484D+00  0.561492D+00  0.240361D+00
               166           167           168           169           170 
      1  -0.158564D+01 -0.571458D+00  0.202770D+00 -0.964433D+00  0.202095D+00
      2  -0.571458D+00 -0.948146D+01 -0.224388D+01  0.202095D+00 -0.382981D+01
      3   0.202770D+00 -0.224388D+01 -0.169575D+01 -0.216228D+00 -0.273990D+01
               171           172           173           174           175 
      1  -0.216228D+00 -0.139108D+01 -0.970656D+00  0.134435D+01 -0.713347D+00
      2  -0.273990D+01 -0.970656D+00 -0.265419D+00  0.502600D+00 -0.124928D+01
      3  -0.135728D+01  0.134435D+01  0.502600D+00 -0.103718D+01  0.568532D+00
               176           177           178           179           180 
      1  -0.124928D+01  0.568532D+00  0.306769D+01  0.190505D+01 -0.151811D+01
      2  -0.438882D+01  0.218066D+01  0.190505D+01  0.492556D+01 -0.489748D+01
      3   0.218066D+01 -0.170741D+01 -0.151811D+01 -0.489748D+01  0.715385D+01
               181           182           183           184           185 
      1  -0.133283D+00  0.278821D+00  0.663003D+00 -0.362087D+00  0.401372D+00
      2   0.278821D+00  0.754191D+00  0.259628D+00  0.401372D+00  0.188974D+00
      3   0.663003D+00  0.259628D+00  0.128165D+01  0.816191D-01  0.443137D+00
               186           187           188           189           190 
      1   0.816191D-01  0.143309D+01 -0.446492D+00 -0.196326D+00 -0.109702D+02
      2   0.443137D+00 -0.446492D+00  0.188718D+01  0.151164D+01  0.422104D+01
      3  -0.164009D+00 -0.196326D+00  0.151164D+01  0.726416D+01  0.977611D-03
               191           192           193           194           195 
      1   0.422104D+01  0.977611D-03  0.193196D+01 -0.150426D+01  0.125623D-01
      2  -0.309505D+01 -0.227277D+00 -0.150426D+01  0.145030D+01 -0.286120D+00
      3  -0.227277D+00 -0.117422D+01  0.125623D-01 -0.286120D+00  0.205735D+00
               196           197           198           199           200 
      1  -0.111856D+01  0.383653D+00 -0.100282D+01  0.707698D+00  0.991244D+00
      2   0.383653D+00 -0.803923D+00  0.540111D+00  0.991244D+00  0.255929D+01
      3  -0.100282D+01  0.540111D+00  0.180083D+00 -0.565738D+00 -0.222960D+00
               201           202           203           204           205 
      1  -0.565738D+00  0.158315D+01  0.930587D+00 -0.347597D+00 -0.112724D+01
      2  -0.222960D+00  0.930587D+00  0.702204D+01 -0.129264D+01  0.862706D-01
      3   0.804607D+00 -0.347597D+00 -0.129264D+01  0.121410D+01  0.431730D+00
               206           207 
      1   0.862706D-01  0.431730D+00
      2  -0.245383D+01  0.119541D+01
      3   0.119541D+01 -0.488653D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.928348D+00 -0.553699D-01 -0.393219D+01 -0.158473D+01  0.155765D+00
      2  -0.115275D+01 -0.168300D+01  0.425390D+01  0.144837D+01  0.215922D+01
      3  -0.493153D+01 -0.127268D+02  0.114949D+01  0.728562D+01 -0.125776D+01
                 6             7             8             9            10 
      1  -0.517815D+00 -0.816804D+01  0.531081D+01 -0.107816D+01 -0.814373D-01
      2   0.673101D+01  0.528024D+00  0.118032D+02 -0.295933D+01  0.834802D+00
      3  -0.103482D+01 -0.233836D+01 -0.289803D+01 -0.484833D+01  0.340998D+01
                11            12            13            14            15 
      1  -0.184695D+00  0.154326D+01  0.297250D+00  0.257855D+01  0.200040D+01
      2  -0.174648D+00  0.814127D+01  0.304744D+01 -0.112850D+01 -0.304844D+01
      3  -0.104053D+02  0.355985D+00  0.111500D+02  0.691153D+00  0.139286D+01
                16            17            18            19            20 
      1   0.396518D+01  0.112398D+02 -0.150618D+01 -0.219747D+00 -0.447085D-01
      2   0.921731D+01 -0.542095D+01  0.343452D+01  0.257571D+01 -0.209766D+01
      3  -0.307164D+01  0.672186D+00  0.209324D+01  0.705505D+01 -0.517854D+01
                21            22            23            24            25 
      1   0.332771D+01  0.827228D+00  0.182534D+00 -0.315695D+01  0.243776D+01
      2  -0.195806D+01 -0.150303D+01 -0.945830D-01  0.304330D+01 -0.145359D+02
      3   0.176677D+01  0.449884D+01 -0.843519D+01 -0.646904D+00  0.373027D+01
                26            27            28            29            30 
      1   0.804984D+00  0.105194D+01 -0.367465D+00 -0.324288D+00  0.130482D+01
      2   0.437590D+01 -0.240495D+01  0.775578D+00  0.164486D+01 -0.253462D+01
      3  -0.118009D+01 -0.693432D+01 -0.371458D+01  0.136782D+02 -0.198610D+01
                31            32            33            34            35 
      1  -0.142718D+01  0.209248D+01 -0.507722D+00  0.270348D+01  0.104156D+02
      2   0.701436D+00 -0.114582D+01  0.576118D+00 -0.145146D+02  0.104483D+01
      3   0.130597D+02 -0.111023D+02  0.253685D+01  0.827702D+00  0.232884D+01
                36            37            38            39            40 
      1  -0.581958D+00  0.127596D+01  0.170020D+00 -0.825744D+00 -0.324141D+00
      2  -0.125882D+01  0.117908D+00 -0.400817D+00 -0.143241D+01 -0.327789D+01
      3  -0.256055D+01 -0.688935D+01  0.562924D+01 -0.557470D+00  0.110602D+02
                41            42            43            44            45 
      1   0.187368D+01 -0.608515D+00 -0.321742D+01  0.734281D+01 -0.471278D+00
      2   0.217982D+01 -0.118941D+01 -0.148563D+02 -0.140062D-01  0.244813D+00
      3   0.215048D+02 -0.252628D+01 -0.169803D+01 -0.692302D+00  0.401202D+01
                46            47            48            49            50 
      1  -0.130188D+01  0.251229D+00 -0.134441D+01 -0.273993D+00 -0.169192D+00
      2  -0.276042D+00 -0.651337D+00 -0.830378D+00 -0.170893D+01 -0.157787D+01
      3  -0.255451D+00 -0.134068D+02  0.130508D+01 -0.577448D+00  0.441725D+01
                51            52            53            54            55 
      1  -0.286756D+01  0.258712D+01  0.153721D+01  0.108662D+00  0.948170D+00
      2  -0.533400D+01 -0.990619D+01 -0.965040D+01  0.266493D+01  0.298522D+00
      3   0.898817D+00  0.160548D+01  0.111115D+01  0.692269D+01  0.396682D+01
                56            57            58            59            60 
      1   0.700797D+00 -0.239605D+01 -0.179766D+01  0.389727D+01 -0.450709D+00
      2  -0.759109D+00  0.889382D+00  0.199661D+00  0.367826D+01  0.297100D+00
      3  -0.196417D+01 -0.639878D+00  0.133552D+02  0.462179D+01 -0.497913D+01
                61            62            63            64            65 
      1  -0.403163D+01  0.724641D+01 -0.503773D+01 -0.562082D+00  0.431588D+00
      2  -0.755637D+01  0.776085D+00 -0.112694D+02 -0.937234D+01  0.128060D+01
      3   0.254569D+01 -0.689430D+01  0.133448D+01 -0.807577D+01 -0.943709D+01
                66            67            68            69            70 
      1  -0.129306D+00  0.133423D+01 -0.167120D+01  0.155081D+01  0.954143D+00
      2   0.588052D+00 -0.593259D+00 -0.242729D+01  0.186292D+01 -0.876997D+01
      3  -0.282815D+00 -0.865329D+01  0.575037D+01  0.383583D+01 -0.109521D+01
                71            72            73            74            75 
      1   0.163945D+01  0.279713D-01 -0.208807D+01 -0.494642D+00  0.152831D+01
      2  -0.241510D+01  0.200905D+02 -0.709828D-01  0.577632D+00  0.671868D+01
      3   0.240905D+01  0.378706D+00  0.124418D+02 -0.359088D+01  0.157716D+01
                76            77            78            79            80 
      1   0.509575D+00 -0.296160D+00 -0.675006D+01 -0.415740D+01  0.234709D+01
      2   0.106566D+01  0.252770D+01 -0.210763D+01 -0.414035D+01  0.369943D+01
      3   0.786977D+01 -0.128190D+02 -0.411148D+01  0.467147D+01 -0.602471D+01
                81            82            83            84            85 
      1  -0.174472D+01  0.641769D+00 -0.528446D+01 -0.201135D+01 -0.305220D+01
      2   0.104285D+01  0.349721D+01 -0.961933D+00 -0.220220D+01  0.449454D+00
      3  -0.641582D-01 -0.749098D+01 -0.257603D+01 -0.534025D+00  0.700299D+01
                86            87            88            89            90 
      1   0.504783D+01  0.555119D+01  0.751294D+01  0.189594D+02 -0.127517D+02
      2  -0.138513D+01  0.155849D+01 -0.329259D+01 -0.173697D+01  0.168984D+00
      3  -0.303016D+01  0.525653D+01  0.141763D+01  0.103763D+02 -0.746657D+00
                91            92            93            94            95 
      1  -0.598741D-01 -0.329107D+00 -0.253809D+01  0.315869D+00 -0.205378D-02
      2   0.315997D+00  0.277104D+00  0.394661D+01 -0.658611D+00 -0.654657D+00
      3  -0.237111D+01 -0.620001D+01  0.308496D-01 -0.468813D+01 -0.103327D+02
                96            97            98            99           100 
      1  -0.288129D+01  0.121303D+01  0.132309D+01  0.171308D+00  0.208078D+00
      2   0.359482D+01 -0.161740D+01 -0.109953D+01 -0.181926D+00  0.158053D+01
      3   0.604839D+00  0.117979D+01  0.162465D+01  0.551329D-01  0.260916D+01
               101           102           103           104           105 
      1   0.399251D+00  0.123885D+01  0.254757D-01 -0.841385D-01 -0.710928D+00
      2  -0.235812D+00  0.659902D+01 -0.116584D+01  0.582039D+00 -0.184296D+01
      3  -0.616793D+01  0.140310D+00 -0.464944D+01  0.315262D+01 -0.512539D+00
               106           107           108           109           110 
      1  -0.697086D+00  0.519225D+00  0.523518D-01 -0.541866D+00  0.378428D+00
      2  -0.258426D+01  0.563396D+00  0.397685D+00 -0.837644D+00  0.781847D+00
      3   0.170048D+01 -0.942683D+00  0.148109D+00 -0.674392D+01  0.509499D+01
               111           112           113           114           115 
      1   0.640930D+00  0.645806D+00 -0.942068D+00 -0.447786D+01 -0.497602D+00
      2  -0.340554D-01  0.120462D+01 -0.196016D+01  0.673268D+00 -0.138522D+01
      3  -0.187101D+00  0.907158D+01 -0.155019D+02  0.184104D+01 -0.555593D+00
               116           117           118           119           120 
      1   0.212461D+01  0.522225D+00  0.466210D-01 -0.230470D-01  0.135506D+01
      2   0.350793D+00  0.128495D+00  0.428920D+00 -0.435730D+00  0.115575D+01
      3   0.279725D+01 -0.681113D-01  0.168876D+01 -0.201730D+01  0.372176D+00
               121           122           123           124           125 
      1  -0.150927D-01 -0.303773D+00 -0.475496D+01 -0.118819D+00  0.184480D+01
      2  -0.127198D+00  0.231346D+01 -0.292659D+01 -0.113015D+01  0.197940D+00
      3   0.961962D+00  0.170514D+02 -0.207656D+01  0.426606D+00 -0.218920D+01
               126           127           128           129           130 
      1   0.496044D+00  0.202935D+01  0.934327D+00  0.125472D+01  0.101235D+01
      2   0.263133D+00  0.677341D+00 -0.808467D+00  0.303014D+01 -0.102311D+01
      3  -0.916442D-01 -0.206047D+01 -0.361335D+01 -0.127456D+01 -0.182969D+01
               131           132           133           134           135 
      1  -0.461184D+00 -0.176432D+01  0.184439D+01  0.128402D+01  0.695678D+01
      2   0.273626D+00 -0.109801D+01  0.691252D-01 -0.889869D+00  0.111848D+02
      3   0.917037D+00 -0.115559D+01 -0.349186D+01 -0.793114D+00 -0.369104D+00
               136           137           138           139           140 
      1  -0.430913D+01 -0.150300D+01  0.476816D+01  0.388390D+00 -0.112381D+02
      2  -0.546866D+01  0.242062D+01  0.490193D+01  0.181678D+01 -0.410717D+01
      3   0.148879D+02 -0.186026D+02  0.314711D+01 -0.105714D+02 -0.952661D+01
               141           142           143           144           145 
      1  -0.140710D+01  0.214619D+01  0.449700D+01  0.140425D+02 -0.831533D-01
      2  -0.890676D-01  0.275898D+00  0.155183D+01  0.115576D+02  0.493189D+01
      3   0.708362D+01  0.217988D+01  0.662975D+01 -0.470700D+01  0.466920D+01
               146           147           148           149           150 
      1   0.288536D+00  0.291242D-01 -0.134641D+00 -0.107787D+00 -0.755978D+00
      2  -0.973527D-01  0.645245D+01 -0.489838D+00  0.113491D+01 -0.475997D+00
      3  -0.756127D+01  0.579530D+00 -0.220739D+01  0.231083D+01 -0.129727D+01
               151           152           153           154           155 
      1  -0.437157D+00  0.914507D+00 -0.178981D+00 -0.113277D-01  0.635689D+00
      2   0.364520D+01 -0.469194D-01  0.139358D+01 -0.194726D+01  0.140579D+00
      3   0.697108D+00 -0.344882D+01  0.282212D+00  0.141359D+01  0.138484D+01
               156           157           158           159           160 
      1   0.157905D+00  0.448973D-01  0.230280D+00 -0.105470D+01 -0.676414D+00
      2   0.259670D+00  0.112277D+01 -0.280425D+01  0.621284D+00  0.209289D+01
      3  -0.340088D+00  0.201665D+01 -0.225370D+00  0.248595D+01 -0.108731D+01
               161           162           163           164           165 
      1   0.488723D+01  0.122150D+01 -0.129378D+01  0.179463D+01  0.112633D+01
      2   0.968118D+00 -0.199701D+02 -0.246604D+00 -0.671152D+00  0.950791D+00
      3   0.675867D+01  0.950470D+00 -0.287367D+01  0.695679D+00  0.258915D+01
               166           167           168           169           170 
      1  -0.331538D+00 -0.655611D+01 -0.667150D+01 -0.950250D+00 -0.613001D+01
      2  -0.434354D+00  0.140368D+01  0.327720D+00 -0.793899D+00  0.619068D+00
      3   0.544662D+01 -0.601544D+01 -0.281252D+01  0.402777D+01 -0.424341D+01
               171           172           173           174           175 
      1  -0.430190D+01  0.305105D+01  0.800850D+00 -0.215886D+01  0.163886D+01
      2   0.725026D+00  0.134420D+01  0.675822D+00  0.119053D+01  0.317836D+00
      3  -0.160338D+01  0.441052D+01  0.695003D+00 -0.307961D+01  0.175221D+01
               176           177           178           179           180 
      1   0.295741D+01 -0.506852D+01 -0.364995D+01 -0.810295D+01  0.171038D+02
      2  -0.513127D+00  0.660613D+00 -0.252141D+01  0.103600D+01 -0.208434D+01
      3  -0.138094D+01  0.891973D-01 -0.843398D+01 -0.200353D+01 -0.828930D+00
               181           182           183           184           185 
      1  -0.124453D+01  0.383115D+00 -0.314272D+01  0.734841D-01 -0.157214D+01
      2  -0.222562D+01 -0.366052D+00 -0.192844D+01  0.211073D+00 -0.785354D+00
      3   0.882532D+00  0.170993D+01  0.182032D+01  0.121475D+01  0.936096D+00
               186           187           188           189           190 
      1  -0.563338D+00 -0.202820D+00  0.538152D+00 -0.178154D+02  0.773228D+00
      2   0.244503D+00 -0.375712D+01 -0.240799D+01 -0.136780D+02  0.366447D+01
      3   0.720088D+00  0.317780D+01  0.297883D+01  0.364038D+01 -0.191882D+02
               191           192           193           194           195 
      1  -0.335637D+00  0.361606D+01 -0.301935D+00  0.119308D+01 -0.125516D+01
      2  -0.593627D+00  0.540040D+01 -0.987562D+00  0.101550D+01 -0.849499D+00
      3  -0.294311D+00 -0.789761D+00  0.363008D+01 -0.288760D+00 -0.104798D+01
               196           197           198           199           200 
      1   0.174799D+01 -0.216913D+00 -0.464574D+00  0.226177D+01  0.141050D+01
      2   0.982236D+00 -0.727216D+00 -0.342553D+00  0.921809D+00 -0.206556D+00
      3  -0.173223D+01 -0.129442D+01 -0.936703D+00  0.841195D+01  0.694935D+01
               201           202           203           204           205 
      1  -0.341253D+01  0.176273D+01  0.553923D+01 -0.587111D+01 -0.155981D+01
      2  -0.564732D+00  0.384511D+00  0.131572D+01 -0.122955D+01 -0.181466D+01
      3  -0.281701D+01  0.101663D+02  0.173102D+02 -0.417736D+01 -0.468347D+01
               206           207 
      1  -0.242133D+01  0.183212D+01
      2  -0.132521D+01  0.485133D+00
      3  -0.508206D+01  0.394144D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.661814D+00 -0.190189D+02  0.163516D+01  0.298687D+02  0.217876D+01
      2  -0.450377D+01  0.130216D+02  0.159604D+01 -0.291823D+02 -0.699703D+01
      3   0.384195D+01  0.599730D+01 -0.323120D+01 -0.686352D+00  0.481827D+01
      4  -0.187299D+02  0.112099D+02 -0.352571D+01  0.270551D+00 -0.163436D+02
      5   0.564389D+00 -0.395874D+01  0.952202D+01  0.395601D+01  0.747067D+01
      6  -0.119716D+01 -0.110342D+01  0.880717D+01  0.565461D+01  0.288620D+01
                 6             7             8             9            10 
      1   0.107479D+01 -0.831418D+01 -0.154077D+01  0.788678D+01 -0.630071D+01
      2  -0.160797D+01  0.907603D+01  0.366009D+01 -0.128303D+02  0.204636D+01
      3   0.533187D+00 -0.761852D+00 -0.211932D+01  0.494348D+01  0.425436D+01
      4   0.732230D+01  0.616908D+00  0.758494D+01  0.163402D+02  0.873334D+01
      5   0.143663D+02  0.284538D+02  0.174351D+02 -0.615969D+01 -0.632438D+01
      6   0.255523D+01  0.998452D+01  0.125362D+02  0.138475D+01  0.662217D+00
                11            12            13            14            15 
      1   0.526375D+01 -0.443913D+01 -0.159709D+02 -0.215847D+02  0.542694D+01
      2  -0.199334D+01  0.175109D+01  0.149028D+02  0.218399D+02 -0.681055D+01
      3  -0.327041D+01  0.268804D+01  0.106814D+01 -0.255198D+00  0.138362D+01
      4   0.228704D+02  0.446090D+00 -0.222303D+02  0.114565D+02 -0.434756D+01
      5   0.806748D-01  0.179360D+02  0.858923D+01 -0.587698D+01 -0.655517D+01
      6  -0.393737D+00 -0.371164D+01 -0.395649D+01 -0.270729D+01 -0.457591D+01
                16            17            18            19            20 
      1  -0.292387D+01  0.729403D+01  0.175141D+02  0.967102D+01  0.301020D+01
      2  -0.141751D+01 -0.551263D+01 -0.211244D+02 -0.617810D+01 -0.553036D+01
      3   0.434138D+01 -0.178140D+01  0.361033D+01 -0.349292D+01  0.252017D+01
      4   0.102559D+02 -0.168035D+01 -0.454531D+01  0.785159D+01 -0.229462D+02
      5   0.384166D+02 -0.684964D+01  0.685915D+01 -0.156094D+01  0.263984D+01
      6  -0.272554D+01  0.586140D+01  0.279463D+01  0.340668D+00 -0.161556D+01
                21            22            23            24            25 
      1   0.986053D+00  0.616025D+01  0.571259D+01 -0.401800D+01 -0.501180D+00
      2  -0.200839D+01  0.994969D+00 -0.116404D+02  0.525080D+01 -0.301544D+00
      3   0.102233D+01 -0.715521D+01  0.592779D+01 -0.123280D+01  0.802724D+00
      4   0.265114D+01  0.168312D+02  0.108305D+02  0.526215D+00 -0.297216D+01
      5  -0.550244D+01 -0.282294D+01  0.841879D+00  0.436878D+01  0.165520D+01
      6  -0.646843D+01 -0.145485D+01  0.796307D+01  0.642115D+01 -0.384765D+00
                26            27            28            29            30 
      1  -0.224497D+01 -0.147253D+02 -0.343878D+02  0.925057D+01 -0.347226D+00
      2   0.672766D+01  0.214602D+01  0.162513D+02 -0.204834D+01  0.348363D+00
      3  -0.448268D+01  0.125793D+02  0.181365D+02 -0.720222D+01 -0.113642D-02
      4  -0.120290D+01  0.998479D+01 -0.100691D+02  0.589521D+01 -0.305212D+01
      5   0.101198D+02 -0.584697D+01  0.589350D+01 -0.220726D+01 -0.239478D+01
      6   0.151028D+02 -0.374280D+01 -0.229015D+01  0.346941D+00 -0.165231D+01
                31            32            33            34            35 
      1   0.130869D+02  0.143377D+01 -0.191267D+01 -0.637556D+01 -0.165811D+01
      2  -0.543279D+01  0.383891D+01  0.362153D+00  0.328905D+01  0.348748D+01
      3  -0.765412D+01 -0.527269D+01  0.155052D+01  0.308651D+01 -0.182938D+01
      4  -0.501763D+01  0.453527D+01 -0.223754D+01  0.156540D+01 -0.406373D+01
      5   0.204391D-01 -0.932930D+00 -0.274676D+00  0.140078D+01  0.787059D+00
      6  -0.897020D+00 -0.320394D+00  0.120239D+00 -0.217572D+01  0.453736D+01
                36            37            38            39            40 
      1  -0.103455D+02 -0.127760D+02 -0.261398D+02  0.404619D+01 -0.194787D+02
      2  -0.186994D+01  0.132315D+02  0.180173D+02 -0.315503D+01  0.799662D+01
      3   0.122155D+02 -0.455499D+00  0.812251D+01 -0.891153D+00  0.114821D+02
      4  -0.163188D+01 -0.685774D+01  0.399842D-01 -0.241837D+00  0.127941D+01
      5  -0.668537D+00 -0.156682D+01 -0.220463D+01 -0.165870D+01 -0.621259D+00
      6  -0.674302D+00 -0.290458D+01 -0.223502D+01  0.181654D+01  0.925703D+00
                41            42            43            44            45 
      1  -0.144016D+02 -0.896777D+00  0.265068D+01 -0.271625D+01 -0.142978D+02
      2   0.147260D+02 -0.157926D+01 -0.359794D+01  0.261175D+01  0.313651D+01
      3  -0.324456D+00  0.247604D+01  0.947263D+00  0.104501D+00  0.111613D+02
      4  -0.860346D+01  0.150743D+00  0.101418D+01 -0.289093D+01 -0.752474D+00
      5  -0.905293D+00 -0.101994D+01  0.929778D+00 -0.266144D+01 -0.903928D+00
      6  -0.847918D+00  0.703721D+00  0.292749D+01  0.109886D+02 -0.909955D+00
                46            47            48            49            50 
      1   0.107867D+02  0.191436D+02  0.753007D-01 -0.218599D+02  0.147860D+02
      2  -0.107621D+02 -0.133332D+02  0.137545D+01  0.190534D+02 -0.227945D+02
      3  -0.246542D-01 -0.581044D+01 -0.145075D+01  0.280652D+01  0.800846D+01
      4   0.883356D+01 -0.161193D+02  0.355033D+01  0.111717D+02  0.142779D+01
      5  -0.387266D-01  0.504359D+01 -0.340995D+01 -0.548011D+00 -0.325351D+01
      6   0.386693D+01 -0.149773D+01  0.162105D+01 -0.316794D+01  0.755164D+01
                51            52            53            54            55 
      1  -0.241941D+01  0.412991D+01  0.139323D+01 -0.559883D+01  0.225103D+02
      2   0.478828D+01 -0.585226D+01  0.345210D+01 -0.428284D+01 -0.776112D+01
      3  -0.236887D+01  0.172234D+01 -0.484533D+01  0.988167D+01 -0.147492D+02
      4  -0.374226D+01  0.203749D+01 -0.690354D+01 -0.155742D+02 -0.307504D+01
      5  -0.104274D+02  0.103441D+02 -0.159743D+02  0.537872D+01 -0.313821D+01
      6   0.655437D+01 -0.537069D+01  0.138740D+02 -0.896674D+00  0.336436D+01
                56            57            58            59            60 
      1  -0.132959D+02  0.146784D+00 -0.174836D+02 -0.739756D+00  0.327312D+01
      2   0.115175D+02  0.369738D+00  0.160789D+02 -0.164145D+01 -0.671384D+01
      3   0.177838D+01 -0.516522D+00  0.140473D+01  0.238120D+01  0.344072D+01
      4  -0.788632D+01  0.225024D+01 -0.133186D+02  0.981306D+01  0.666447D+01
      5   0.238644D+01 -0.661988D+01  0.287306D+01  0.720280D+01  0.248934D+01
      6   0.217841D+01  0.426640D+01  0.347394D+01 -0.751825D+01 -0.421710D+01
                61            62            63            64            65 
      1   0.119240D+02  0.245567D+00  0.644616D+01 -0.499986D+02  0.960589D+01
      2   0.685158D+01 -0.117862D+02  0.561458D+01  0.280868D+02 -0.704014D+01
      3  -0.187756D+02  0.115406D+02 -0.120607D+02  0.219118D+02 -0.256575D+01
      4   0.943720D+00  0.890119D+01  0.785741D+01  0.104197D+02  0.612150D+01
      5  -0.113334D+02  0.631988D+01 -0.290240D+02 -0.133077D+02  0.865918D+00
      6   0.876842D+01 -0.341921D+01  0.156932D+02 -0.511033D+00 -0.172147D+01
                66            67            68            69            70 
      1  -0.922619D+01  0.200644D+02  0.109508D+02 -0.741526D+00 -0.139188D+02
      2   0.479423D+01 -0.146678D+02 -0.129754D+02  0.459801D+01  0.786862D+00
      3   0.443197D+01 -0.539664D+01  0.202453D+01 -0.385648D+01  0.131319D+02
      4   0.594692D+00 -0.151686D+01 -0.264813D+01 -0.655606D+01 -0.310356D+01
      5  -0.187248D+01 -0.521414D+01 -0.676817D+01  0.569360D+01 -0.121973D+02
      6   0.487570D+00 -0.330215D+01 -0.167036D+01 -0.509536D+01 -0.277168D+01
                71            72            73            74            75 
      1   0.519233D+00  0.245234D+00  0.251382D+02  0.916573D+01 -0.143412D+01
      2   0.573227D+00  0.153814D+02 -0.134561D+02 -0.463816D+01 -0.125181D+01
      3  -0.109246D+01 -0.156267D+02 -0.116822D+02 -0.452757D+01  0.268593D+01
      4  -0.198824D+01 -0.380606D+01  0.142948D+02  0.152348D+02  0.677317D+01
      5  -0.207649D+01  0.384052D+02  0.758328D+01  0.431205D+01  0.112552D+02
      6  -0.643791D+00  0.353194D+01  0.521140D+01  0.676099D+01 -0.525359D+01
                76            77            78            79            80 
      1  -0.797159D+01 -0.109875D+02 -0.111470D+01  0.102678D+02  0.424407D+00
      2   0.895717D+01  0.202481D+02 -0.519760D+00 -0.607782D+01  0.171922D+01
      3  -0.985587D+00 -0.926066D+01  0.163446D+01 -0.418994D+01 -0.214363D+01
      4   0.152950D+02  0.179871D+02  0.656141D+01  0.752496D+01  0.777132D+01
      5   0.526549D+01  0.531776D+01 -0.434894D+01  0.122257D+02  0.712344D+01
      6   0.118678D+01  0.571019D+01  0.115016D+02  0.671428D+01  0.134247D+02
                81            82            83            84            85 
      1  -0.872218D+01 -0.100594D+02 -0.753604D+01 -0.222104D+01  0.138705D+02
      2  -0.477805D+01  0.610608D+01  0.136123D+02  0.610589D+01 -0.936508D+01
      3   0.135002D+02  0.395328D+01 -0.607625D+01 -0.388485D+01 -0.450541D+01
      4   0.942540D+01 -0.996991D+00 -0.753818D+01 -0.378380D+01  0.665369D+00
      5   0.126848D+01 -0.218864D+00 -0.153336D+01 -0.791739D+01  0.289130D+01
      6   0.272220D+01 -0.174459D+01  0.452913D+01  0.432597D+01  0.726243D+01
                86            87            88            89            90 
      1   0.390459D+02  0.120103D+01 -0.174970D+02 -0.830136D+01  0.301304D+02
      2  -0.427524D+02 -0.899831D+01  0.124057D+02 -0.590628D+01 -0.188147D+02
      3   0.370646D+01  0.779727D+01  0.509133D+01  0.142076D+02 -0.113158D+02
      4   0.319119D+01  0.403720D+01  0.351890D+01  0.496798D+01 -0.858224D+01
      5   0.380682D+01 -0.244433D+01 -0.599084D+01 -0.974975D+01  0.949939D+01
      6  -0.653631D+01 -0.159897D+02 -0.117516D+02 -0.365526D+02  0.293791D+02
                91            92            93            94            95 
      1   0.401963D+02  0.210799D+02 -0.187306D+01  0.178959D+02  0.115113D+02
      2  -0.140908D+02 -0.389562D+01  0.923870D+00  0.897345D+00  0.792954D+01
      3  -0.261055D+02 -0.171843D+02  0.949186D+00 -0.187932D+02 -0.194408D+02
      4   0.436564D+02  0.336319D+02 -0.210895D+01  0.394651D+02  0.418154D+02
      5  -0.346959D+01 -0.190466D+01  0.742692D+01 -0.403586D+01 -0.369379D+01
      6  -0.424417D+00 -0.385526D+00  0.342209D+01 -0.182811D+01 -0.179750D+01
                96            97            98            99           100 
      1  -0.140206D+01 -0.174931D+00 -0.507617D+00  0.265534D+00  0.100442D+03
      2   0.491103D+00 -0.927209D+00 -0.739090D+00  0.612765D+00 -0.569766D+02
      3   0.910957D+00  0.110214D+01  0.124671D+01 -0.878299D+00 -0.434652D+02
      4  -0.367965D+01 -0.296834D+01 -0.386720D+01  0.229818D+01 -0.258285D+02
      5   0.572575D+01  0.166889D+01  0.816988D+00 -0.602458D+00  0.104852D+02
      6   0.500539D+01  0.850784D+00  0.153583D+01 -0.910946D+00  0.273191D+00
               101           102           103           104           105 
      1  -0.176693D+02  0.667879D+01 -0.172601D+02  0.123809D+02 -0.213453D+01
      2   0.897554D+01 -0.459763D+01  0.796371D+01 -0.543111D+01  0.160053D+01
      3   0.869372D+01 -0.208116D+01  0.929639D+01 -0.694980D+01  0.533997D+00
      4   0.140446D+02 -0.166290D+01  0.204374D+02 -0.963064D+01  0.179220D+01
      5  -0.186017D+01  0.114835D+02 -0.394084D+01  0.204183D+01 -0.282996D+01
      6   0.354509D+00 -0.138829D+01  0.104877D+01 -0.409308D+00  0.213615D+01
               106           107           108           109           110 
      1   0.842685D+01 -0.296891D+01  0.259609D+01 -0.414966D+01  0.485666D+01
      2  -0.471892D+01  0.182712D+01 -0.154181D+01  0.559827D+01 -0.459346D+01
      3  -0.370793D+01  0.114179D+01 -0.105428D+01 -0.144861D+01 -0.263206D+00
      4  -0.402461D+01  0.202076D+01 -0.146663D+01 -0.160388D+01  0.668649D+01
      5   0.280200D+01 -0.541077D+00  0.151838D+01 -0.624279D+00 -0.130189D+00
      6  -0.368385D+00  0.908753D+00 -0.569158D+00 -0.830962D+00  0.126513D+01
               111           112           113           114           115 
      1  -0.125945D+01  0.497584D+01 -0.341960D+02  0.583867D+01 -0.720907D+00
      2   0.593191D+00 -0.508053D+01  0.470477D+02 -0.548719D+01  0.557916D+00
      3   0.666261D+00  0.104690D+00 -0.128517D+02 -0.351472D+00  0.162991D+00
      4  -0.372301D+00  0.610827D+01  0.133899D+02 -0.266082D+01 -0.550986D+00
      5   0.969893D+00 -0.236751D+00 -0.334038D+01  0.193992D+01  0.762288D+00
      6  -0.672053D+00  0.361039D+00 -0.990795D+01  0.840203D+01 -0.879375D-01
               116           117           118           119           120 
      1   0.555296D+01 -0.251919D+01  0.323672D+01 -0.333565D+01  0.360945D+00
      2  -0.686318D+01  0.262451D+01  0.268780D+01 -0.360632D+01  0.936293D-02
      3   0.131022D+01 -0.105319D+00 -0.592452D+01  0.694197D+01 -0.370308D+00
      4  -0.173921D+01 -0.570560D+00 -0.133075D+02  0.180188D+02 -0.250970D+01
      5   0.444519D-01  0.403250D+00  0.210567D+01 -0.265822D+01  0.327807D+01
      6   0.405758D+01 -0.239825D+01 -0.148155D+01  0.189293D+01 -0.215778D+01
               121           122           123           124           125 
      1   0.896012D-01 -0.201621D+02  0.281062D+01  0.376280D-01  0.212202D+01
      2  -0.838546D+01  0.403180D+02 -0.347558D+01  0.122496D+01 -0.397837D+01
      3   0.829586D+01 -0.201558D+02  0.664953D+00 -0.126259D+01  0.185635D+01
      4   0.208844D+02 -0.454244D+02  0.563804D+01 -0.373916D+01  0.651623D+01
      5  -0.282820D+01  0.572890D+01 -0.525859D+01  0.153494D+01 -0.162000D+01
      6   0.280829D+01 -0.838417D+01  0.836853D+01 -0.163911D+01  0.417270D+01
               126           127           128           129           130 
      1  -0.219375D+01  0.296391D+01  0.120575D+01  0.253624D+01  0.281856D+01
      2   0.278025D+01 -0.636650D+01 -0.142784D+01 -0.400801D+01 -0.333682D+01
      3  -0.586492D+00  0.340259D+01  0.222092D+00  0.147177D+01  0.518267D+00
      4  -0.198425D+01 -0.250511D+01  0.620360D+01 -0.331156D+01  0.811987D+01
      5   0.102307D+01  0.878933D+01 -0.223406D+01  0.132141D+02 -0.185487D+01
      6  -0.239581D+01 -0.420506D+01  0.774177D+00 -0.310484D+01  0.178566D+01
               131           132           133           134           135 
      1  -0.438217D+01  0.146881D+01 -0.171010D+01  0.454151D+01 -0.153570D+02
      2   0.211683D+01 -0.108585D+01 -0.776481D+01 -0.536253D+00 -0.166198D+02
      3   0.226534D+01 -0.382964D+00  0.947491D+01 -0.400526D+01  0.319767D+02
      4  -0.641650D+01  0.351533D+01 -0.730260D+01  0.641458D+01 -0.609157D+01
      5   0.329203D+01 -0.276631D+01  0.178556D+02 -0.603827D+01  0.303765D+02
      6  -0.220036D+01  0.865642D+01 -0.776119D+01  0.749817D+01 -0.185353D+02
               136           137           138           139           140 
      1  -0.317426D+02  0.275675D+02 -0.146426D+01  0.239856D+02  0.781313D+01
      2   0.650903D+01 -0.254527D+02  0.563288D+01 -0.244849D+02 -0.123491D+02
      3   0.252336D+02 -0.211474D+01 -0.416862D+01  0.499341D+00  0.453596D+01
      4   0.395190D+02 -0.748703D+01  0.198282D+01  0.351244D+01 -0.118888D+02
      5  -0.315900D+00 -0.224298D+01  0.652996D+01 -0.179087D+01 -0.105614D+02
      6   0.493657D+01 -0.358666D+00 -0.766040D+01 -0.191645D+01  0.173559D+02
               141           142           143           144           145 
      1  -0.102325D+02 -0.318023D+01 -0.881450D+01  0.138872D+02  0.798008D+02
      2   0.158958D+02  0.338909D+00  0.190861D+02  0.328587D+01 -0.456898D+02
      3  -0.566326D+01  0.284132D+01 -0.102716D+02 -0.171731D+02 -0.341110D+02
      4  -0.669817D+01  0.596009D+01 -0.105880D+02 -0.747341D+01 -0.198006D+00
      5   0.413473D+00  0.632881D+01 -0.768462D+00  0.167009D+02  0.106102D+02
      6   0.283577D+01 -0.742166D+01  0.835463D+00 -0.234704D+02  0.808797D+00
               146           147           148           149           150 
      1  -0.437964D+01  0.910978D+01 -0.104321D+02  0.676144D+01 -0.416155D+00
      2   0.291751D+01 -0.524616D+01  0.624920D+01 -0.220906D+01  0.827239D+00
      3   0.146213D+01 -0.386362D+01  0.418292D+01 -0.455238D+01 -0.411084D+00
      4   0.983057D+01  0.375322D-01  0.118568D+02 -0.254014D+01  0.241316D+01
      5  -0.332157D+00  0.106462D+02 -0.810942D+00  0.274279D+01 -0.674915D+00
      6   0.397811D+00  0.290488D+00  0.593523D+00  0.240966D+00  0.156734D+01
               151           152           153           154           155 
      1   0.162170D+02 -0.996043D+00  0.812234D+01  0.793049D+01 -0.236704D+00
      2  -0.104214D+02  0.910400D+00 -0.750552D+01 -0.644755D+01  0.905276D-01
      3  -0.579558D+01  0.856427D-01 -0.616820D+00 -0.148294D+01  0.146177D+00
      4  -0.510044D+00  0.405108D+01  0.187516D+00  0.696183D+00 -0.865980D+00
      5   0.139943D+02 -0.392233D+00  0.438230D+01 -0.555654D+01 -0.194225D+00
      6   0.472386D+00  0.972982D+00 -0.959513D-01 -0.878879D+00 -0.531499D-01
               156           157           158           159           160 
      1  -0.479266D+01 -0.983692D-01 -0.342092D+01  0.178727D+01 -0.867911D+01
      2   0.278274D+01  0.388059D+00  0.741714D+00 -0.691473D+00  0.119850D+02
      3   0.200992D+01 -0.289690D+00  0.267920D+01 -0.109580D+01 -0.330591D+01
      4  -0.102387D+01  0.305045D+01  0.108390D+01 -0.495939D+01 -0.129078D+01
      5   0.372242D+01 -0.211851D-01 -0.478576D+01  0.149847D+01  0.189981D+02
      6   0.393314D-01 -0.168267D+01 -0.152535D+01  0.782117D+01  0.225506D+01
               161           162           163           164           165 
      1   0.700256D+00 -0.453017D+01 -0.118846D+01  0.964213D+01  0.352657D+01
      2  -0.951659D+00 -0.209372D+02  0.377567D+01 -0.138005D+02 -0.334448D+01
      3   0.251402D+00  0.254674D+02 -0.258720D+01  0.415841D+01 -0.182082D+00
      4  -0.834861D+01  0.278316D+01 -0.268883D+01  0.915631D+01  0.320022D+01
      5   0.112864D+01 -0.389332D+02 -0.154670D+00  0.131105D+01  0.256534D+01
      6   0.454814D+01 -0.608590D+01  0.402265D+01 -0.421337D+01 -0.194156D+01
               166           167           168           169           170 
      1  -0.929801D+00 -0.400028D+02 -0.968468D+01  0.224844D+01 -0.168061D+02
      2   0.910487D+00  0.585430D+02  0.142621D+02 -0.836486D+00  0.231440D+02
      3   0.193141D-01 -0.185402D+02 -0.457739D+01 -0.141195D+01 -0.633797D+01
      4   0.663678D+01  0.197340D+01 -0.296584D+00  0.397404D+01  0.373370D+00
      5   0.676154D+00  0.101736D+01  0.137617D+01  0.247999D+01  0.228942D+01
      6  -0.369449D+00  0.178587D+02  0.127673D+02  0.204239D+01  0.197020D+02
               171           172           173           174           175 
      1  -0.128326D+02  0.133519D+00  0.724198D-01  0.592872D+00 -0.328474D+01
      2   0.121281D+02 -0.173883D+01 -0.604925D+00  0.657634D+00  0.395513D+01
      3   0.704487D+00  0.160531D+01  0.532505D+00 -0.125051D+01 -0.670387D+00
      4   0.805997D+00  0.510229D+01  0.714971D+01 -0.569347D+01  0.408674D+01
      5  -0.157243D+00 -0.419040D+01 -0.382030D+01  0.870712D+01 -0.204212D+01
      6   0.962112D+01 -0.697365D+01 -0.363834D+01  0.490082D+01 -0.373035D+01
               176           177           178           179           180 
      1  -0.196868D+02  0.917641D+01  0.487843D+01  0.234210D+02 -0.284235D+02
      2   0.210490D+02 -0.830561D+01 -0.268754D+01 -0.158078D+02  0.874363D+01
      3  -0.136219D+01 -0.870802D+00 -0.219088D+01 -0.761325D+01  0.196799D+02
      4   0.604343D+01 -0.417618D+01 -0.964391D+01 -0.798031D+01  0.778350D+01
      5  -0.425924D+01  0.323413D+01  0.803871D+01  0.930526D+01 -0.121355D+02
      6  -0.144674D+02  0.145962D+02  0.903917D+01  0.316649D+02 -0.386902D+02
               181           182           183           184           185 
      1   0.107861D+01 -0.506938D+01 -0.530516D+01 -0.157897D+01 -0.412272D+01
      2  -0.157830D+01  0.517511D+01  0.156903D+00  0.127391D+01  0.307975D+01
      3   0.499693D+00 -0.105728D+00  0.514825D+01  0.305059D+00  0.104297D+01
      4  -0.170469D+01  0.569909D+00  0.278105D+01  0.116542D+00  0.130090D+01
      5  -0.999200D+00  0.406755D+00  0.343012D+00 -0.454638D+00 -0.646878D+00
      6   0.241907D+01  0.217088D+01  0.577623D+01  0.293218D+00  0.188048D+01
               186           187           188           189           190 
      1  -0.129314D+01 -0.423093D+01 -0.708182D+01 -0.196138D+02  0.515594D+02
      2   0.285752D+01  0.115429D+01  0.653637D+01 -0.784911D+01 -0.164217D+02
      3  -0.156438D+01  0.307665D+01  0.545455D+00  0.274629D+02 -0.351377D+02
      4  -0.105598D+01  0.749612D+01 -0.652565D+01 -0.860434D-01 -0.555178D+02
      5   0.683504D+00  0.576773D+01 -0.471552D+01 -0.215810D+02 -0.511302D+01
      6   0.449970D+01 -0.737172D+00  0.116066D+02  0.329636D+02  0.395977D+00
               191           192           193           194           195 
      1  -0.118096D+02  0.166216D+01 -0.572312D+01  0.275552D+01  0.769219D+00
      2  -0.404897D+01 -0.456620D+00 -0.291213D+01  0.586137D+01 -0.161145D+01
      3   0.158586D+02 -0.120554D+01  0.863525D+01 -0.861690D+01  0.842230D+00
      4   0.309774D+02 -0.332973D-01  0.175347D+02 -0.125156D+02  0.863852D+00
      5   0.224679D+01  0.945923D+01  0.949162D+00  0.529307D+00 -0.166760D+01
      6  -0.208202D+01 -0.682410D+01 -0.818582D+00 -0.691441D+00  0.217025D+01
               196           197           198           199           200 
      1   0.341653D+01  0.101421D+01  0.274892D+01 -0.187116D+01 -0.147130D+02
      2  -0.129777D+01 -0.319588D+01 -0.232813D+01  0.586072D+01  0.203564D+02
      3  -0.211876D+01  0.218166D+01 -0.420789D+00 -0.398956D+01 -0.564349D+01
      4  -0.419721D+01  0.329719D+01 -0.484007D+01  0.147143D+01  0.100935D+01
      5   0.874991D+01 -0.356547D+01 -0.361777D-01  0.128284D+01  0.129952D+01
      6  -0.501105D+01  0.356292D+01  0.991233D+00 -0.285980D+01 -0.137291D+01
               201           202           203           204           205 
      1   0.198556D+01 -0.907429D+01 -0.321814D+02  0.656482D+01  0.353954D+01
      2  -0.351930D+01  0.988642D+01  0.525270D+02 -0.102977D+02 -0.225912D+01
      3   0.153374D+01 -0.812133D+00 -0.203456D+02  0.373291D+01 -0.128042D+01
      4  -0.163611D+01  0.748717D+01 -0.113417D+02  0.166035D+01 -0.460434D+01
      5  -0.169650D+01  0.200179D+01  0.503213D+01 -0.352155D+01 -0.159094D+00
      6   0.508134D+01 -0.153483D+01 -0.715142D+01  0.918255D+01  0.264728D+01
               206           207 
      1   0.953350D+01 -0.800775D+01
      2  -0.153327D+02  0.670339D+01
      3   0.579918D+01  0.130436D+01
      4   0.588003D+01 -0.614005D-01
      5  -0.292211D+01  0.968301D+00
      6   0.903183D+01 -0.439462D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.145743D+00      0.370443D+00      0.123566D+01
   y          0.325034D+00      0.826155D+00      0.275576D+01
   z          0.264045D+00      0.671136D+00      0.223867D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.140762D+03      0.208588D+02      0.232085D+02
   yx        -0.306459D+01     -0.454125D+00     -0.505282D+00
   yy         0.125808D+03      0.186429D+02      0.207430D+02
   zx         0.749567D+00      0.111074D+00      0.123587D+00
   zy        -0.470672D+01     -0.697465D+00     -0.776034D+00
   zz         0.775811D+02      0.114963D+02      0.127914D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.124840D+03      0.184994D+02      0.205834D+02
   aniso      0.608082D+02      0.901084D+01      0.100259D+02
   xx         0.152727D+03      0.226317D+02      0.251812D+02
   yx        -0.250477D+01     -0.371168D+00     -0.412980D+00
   yy         0.135807D+03      0.201246D+02      0.223916D+02
   zx         0.735069D+00      0.108926D+00      0.121196D+00
   zy        -0.468833D+01     -0.694739D+00     -0.773002D+00
   zz         0.859870D+02      0.127420D+02      0.141773D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          4.11940560          0.76234478          2.90068162
     6          4.96802066         -1.30344315          1.51646181
     6          1.75602990          1.78149465          2.40532750
     6          0.19153261          0.77300257          0.53553123
     6          1.06831974         -1.28817595         -0.86632251
     6          3.44019890         -2.31161053         -0.35704685
     6         -2.38850072          1.89753917         -0.02496951
     6         -3.93702916          0.06579958         -1.62691435
     8         -2.53572682         -0.84992042         -3.71311558
     6         -0.54501922         -2.44176174         -2.91633599
     1          5.29690753          1.57856270          4.36053134
     1          6.81083143         -2.11015173          1.88572780
     1          1.11963508          3.39052865          3.49460750
     1          4.09906380         -3.90930328         -1.45829771
     1         -2.09698021          3.60226998         -1.16552984
     6         -3.87681498          2.63116950          2.34225109
     1         -5.59990352          1.00474854         -2.39997143
     1         -4.58315355         -1.52474227         -0.45201327
     1          0.59442571         -2.83084029         -4.58924234
     1         -1.32301899         -4.25477654         -2.25274808
     1         -4.10278264          1.01084118          3.59991666
     1         -5.75565968          3.31266834          1.82604672
     1         -2.95041874          4.13141277          3.40391193

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.443405D+00      0.112702D+01      0.375935D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.443405D+00      0.112702D+01      0.375935D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114717D+03      0.169993D+02      0.189143D+02
   aniso      0.580258D+02      0.859853D+01      0.956716D+01
   xx         0.133531D+03      0.197873D+02      0.220164D+02
   yx        -0.156602D+02     -0.232060D+01     -0.258202D+01
   yy         0.105591D+03      0.156469D+02      0.174096D+02
   zx         0.139723D+02      0.207048D+01      0.230372D+01
   zy         0.204035D+02      0.302349D+01      0.336409D+01
   zz         0.105029D+03      0.155638D+02      0.173170D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.124840D+03      0.184994D+02      0.205834D+02
   aniso      0.608082D+02      0.901084D+01      0.100259D+02
   xx         0.144920D+03      0.214749D+02      0.238940D+02
   yx        -0.159546D+02     -0.236423D+01     -0.263056D+01
   yy         0.114645D+03      0.169887D+02      0.189025D+02
   zx         0.152286D+02      0.225665D+01      0.251086D+01
   zy         0.210636D+02      0.312130D+01      0.347291D+01
   zz         0.114956D+03      0.170347D+02      0.189537D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-K13-16-02\Freq\RLC-PBEPBE\Gen\C10H12O1\PIERPA\16-Jul-2021
 \0\\#P SP LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,
 Tight) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=02
 50000000,3/108=0250000000,3/119=1000000000,3/120=1000000000,3/130=-1,3
 /131=-1)\\ROA calculations.\\0,1\C,2.475896,1.06355,-0.098164\C,2.8188
 75,-0.266215,0.11937\C,1.142334,1.41794,-0.238522\C,0.125866,0.46372,-
 0.164411\C,0.479308,-0.873519,0.040878\C,1.819829,-1.224692,0.185806\C
 ,-1.334336,0.847139,-0.328494\C,-2.230548,-0.293378,0.14659\O,-1.82891
 ,-1.535993,-0.399339\C,-0.581007,-1.944665,0.122977\H,3.245503,1.82219
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 WE MIGHT AS WELL ATTEMPT TO INTRODUCE A NEW PLANET 
 INTO THE SOLAR SYSTEM, OR TO ANNIHILATE ONE ALREADYIN EXISTENCE, 
 AS TO CREATE OR DESTROY A PARTICLE OF HYDROGEN.
 ALL THE CHANGES WE CAN PRODUCE CONSIST IN SEPARATING PARTICLES
 THAT ARE IN A STATE OF ... COMBINATION, AND JOINING 
 THOSE THAT WERE PREVIOUSLY AT A DISTANCE.

                                    -- JOHN DALTON, 1810
 Job cpu time:       0 days 15 hours 14 minutes  9.9 seconds.
 Elapsed time:       0 days  1 hours 55 minutes  9.2 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 21:09:16 2021.
